SCHEMBL8829307

SCHEMBL8829307

N#Cc1ccn2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.38
ELANE P08246 3/20 0.37
HTT P42858 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RPS6KA5 O75582 2/20 0.33
RPS6KA4 O75676 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK2 P24941 1/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL9772527 0.74 CYP19A1 (0.33) CYP19A1
SCHEMBL30736254 0.73 CYP19A1 (0.40) CYP19A1ELANEHTTKMT2ACYP1A2
SCHEMBL1693953 0.71 CDK2 (0.49) CYP19A1ELANEHTTNCOA3ALDH1A1
SCHEMBL343454 0.69 IMPDH2 (0.41) CYP19A1HTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL5492666 0.69 GAA (0.35) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL8829351 0.69 GAA (0.37) CYP19A1CYP3A4GAA
SCHEMBL21863623 0.69 IDO1 (0.32) CYP19A1CYP3A4GAA
SCHEMBL8829194 0.69 CYP19A1 (0.38) CYP19A1CYP3A4GAASLC22A12
Hydrochloric Acid SCHEMBL29572128 0.69 CDK2 (0.47) CYP19A1ELANEHTTNCOA3ALDH1A1
SCHEMBL15158038 0.68 CDK2 (0.42) CYP19A1ELANEALDH1A1SMN1; SMN2KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844318-B Be used for the treatment of the compound of respiratory syncytial virus infection BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2016-04-13 CN claimed
CN-102844318-A Compounds for treating respiratory syncytial virus infections BIOTA SCIENT MAN 2012-12-26 CN claimed
EP-4547669-A1 INHIBITORS OF FGFR2 AND FGFR3 AND USES THEREOF Insilico Medicine IP Limited (HK) 2025-05-07 EP disclosed
CN-119451964-A FGFR2 and FGFR3 inhibitors and uses thereof 英矽智能科技知识产权有限公司 2025-02-14 CN disclosed
WO-2024002157-A1 INHIBITORS OF FGFR2 AND FGFR3 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-01-04 WO disclosed
CN-102844318-B Be used for the treatment of the compound of respiratory syncytial virus infection BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2016-04-13 CN disclosed
CN-102844318-A Compounds for treating respiratory syncytial virus infections BIOTA SCIENT MAN 2012-12-26 CN disclosed
US-5593984-A Cephalosporin derivatives YUHAN CORPORATION (KR) 1997-01-14 US disclosed
EP-0662973-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 1995-07-19 EP disclosed
WO-1994007898-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1994-04-14 WO disclosed