SCHEMBL4426335

SCHEMBL4426335

CC1CC(c2ccccc2)CC=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
KDM1A O60341 4/20 0.33
CYP2C19 P33261 4/20 0.33
CYP2B6 P20813 3/20 0.33
BRD4 O60885 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL6586289 0.81 RECQL (0.38) KDM1ASLC6A2HTR2CSLC6A3
SCHEMBL22644564 0.78 SLC18A3 (0.31) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL24350387 0.74 LMNA (0.34) MAOAMAOBKDM1ACYP2C19CYP2B6
SCHEMBL778067 0.72 SLC18A3 (0.44) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL8111510 0.69 AKR1C3 (0.42) SLC18A3SIGMAR1AKR1C3AKR1C1LMNA
SCHEMBL8783820 0.68 RIPK1 (0.33) MAOAMAOBKDM1ACYP2C19CYP2B6
SCHEMBL29031641 0.68 SLC18A3 (0.44) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL1371597 0.67 SLC18A3 (0.40) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL2013478 0.67 SLC18A3 (0.48) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL2766491 0.66 SLC18A3 (0.52) SLC18A3SIGMAR1GAAMAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600302-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER United States Government as Represented by The Department of Veterans Affairs (US) 2020-02-05 EP disclosed
WO-2018183762-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2018-10-04 WO disclosed
EP-2807152-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-12-03 EP disclosed
EP-2785711-A1 2-(PHENYL OR PYRID-3-YL) AMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
EP-2785699-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
EP-2785709-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2013079495-A1 2-(PHENYL OR PYRID-3-YL) AMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2013079494-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2013079493-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
EP-1487436-A4 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARM INC (US) 2009-06-03 EP disclosed
EP-1539135-A1 TREATMENT OF DYSKINESIA Motac Neuroscience Limited (GB) 2005-06-15 EP disclosed
EP-1487436-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS Signal Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
WO-2004026299-A1 TREATMENT OF DYSKINESIA MOTAC NEUROSCIENCE LIMITED (GB) 2004-04-01 WO disclosed
EP-1363891-A2 ANTHRONE DERIVATIVES AND THEIR USE AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-11-26 EP disclosed
WO-2003075917-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARMACEUTICALS, INC. (US) 2003-09-18 WO disclosed
WO-2002066450-A2 ANTHRONE DERIVATIVES AND THEIR USE AS INK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-08-29 WO disclosed