SCHEMBL5855482

SCHEMBL5855482

N#Cc1ccccc1-n1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2D6 P10635 3/20 0.67
CYP2C9 P11712 3/20 0.67
CYP2C19 P33261 3/20 0.67
GAA P10253 1/20 0.67
IDO1 P14902 1/20 0.56
CYP19A1 P11511 4/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16487324 0.83 CYP3A4 (0.64) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7390072 0.82 IDO1 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27747135 0.82 IDO1 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4020894 0.81 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31408101 0.80 IDO1 (0.73) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16382293 0.80 IDO1 (0.73) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16487422 0.80 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5855555 0.77 KDM4E (0.46) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21741804 0.77 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2525780 0.77 CYP1A2 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033337-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS Janssen Pharmaceutica, N.V. (BE) 2016-06-22 EP claimed
WO-2015023289-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 WO claimed
US-20250361338-A1 PROCESS FOR THE SYNTHESIS OF POLYETHYLENES OR COPOLYMERS OF ETHYLENE AND 1,3-DIENE HAVING A TERMINAL KETONE FUNCTION MICHELIN & CIE (FR) 2025-11-27 US disclosed
CN-119343386-A Synthesis of polyethylene or copolymer of ethylene and 1, 3-diene having terminal ketone function 米其林集团总公司 2025-01-21 CN disclosed
WO-2023237381-A1 PROCESS FOR THE SYNTHESIS OF POLYETHYLENES OR COPOLYMERS OF ETHYLENE AND 1,3-DIENE HAVING A TERMINAL KETONE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-12-14 WO disclosed
CN-116829353-A Epoxy resin composition, cured product thereof, and laminate DIC株式会社 2023-09-29 CN disclosed
WO-2023046128-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-30 WO disclosed
EP-3558972-A1 TETRAZOLE CONTAINING COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2019-10-30 EP disclosed
WO-2018114783-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
CN-102014900-B Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2014-04-02 CN disclosed
CN-102014900-A Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2011-04-13 CN disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
CN-1205008-A Imidazoquinazoline derivatives KYOWA HAKKO KOGYO KK (JP) 1999-01-13 CN disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 EP disclosed
EP-0813534-A4 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 US disclosed
CN-1177963-A 6-arylpyrazolo [3, 4-d ] pyrimidin-4-ones and compositions and methods of use thereof SANOFI WINTHROP INC (US) 1998-04-01 CN disclosed
EP-0813534-A1 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed