SCHEMBL2557430

SCHEMBL2557430

NCc1cccc(NC(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.55
AURKB Q96GD4 1/20 0.49
HTR6 P50406 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
GFER P55789 1/20 0.47
ENPP2 Q13822 1/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL27804714 0.86 HTR6 (0.51) HTR6GAAMAPTGFERNOS1
SCHEMBL5211495 0.85 PDK1 (0.55) GAAMAPTGFERNOS3NOS1
SCHEMBL10647146 0.85 MAPT (0.47) GAAMAPTGFERNOS3NOS1
SCHEMBL27665907 0.85 CFD (0.55) CFDAURKBHTR6LOXL2GAA
SCHEMBL3003205 0.85 CFD (0.59) CFDAURKBHTR6LOXL2GAA
SCHEMBL13564689 0.84 MAPT (0.46) GAAMAPTGFERNOS3NOS1
SCHEMBL5212905 0.84 MAPT (0.46) GAAMAPTGFERNOS3NOS1
SCHEMBL11627789 0.84 CSNK2A1 (0.54) CFDGAAMAPTGFERNOS3
SCHEMBL5031452 0.84 SIGMAR1 (0.60) GAAMAPT
SCHEMBL4505211 0.84 GAA (0.55) CFDGAAMAPTGFERNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN claimed
CN-101048383-A Gonadotropin releasing hormone receptor antagonists WYETH CORP (US) 2007-10-03 CN claimed
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 CN claimed
CN-106986857-B Trk inhibiting compound 小野药品工业株式会社 2019-07-05 CN disclosed
CN-109400597-A A kind of protein degradation targeting chimera and preparation method and application based on VEGFR-2 inhibitor ABT-869 西安交通大学 2019-03-01 CN disclosed
CN-107868060-A The quinolinones compound of 2 [3 (4 morpholinyl) Propylamino] 3 aryl 4 and its application 沈阳药科大学 2018-04-03 CN disclosed
CN-107793369-A The quianzolinones of 2 [2 (2 methoxyphenoxy) ethylamino-] 3 aryl 4 and its application 沈阳药科大学 2018-03-13 CN disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
CN-103110951-A Methods for treating ocular angiogenesis, retinal edema, retinal ischemia, and diabetic retinopathy using selective rtk inhibitors ALCON INC 2013-05-22 CN disclosed
CN-103087078-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB 2013-05-08 CN disclosed
CN-1732159-A Pyrimidinone derivatives as therapeutic agents for the treatment of acute and chronic inflammatory, ischemic and remodelling pathologies BAYER HEALTHCARE AG (DE) 2006-02-08 CN disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
CN-1130351-C 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2003-12-10 CN disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed
CN-1051079-C Benzodiazepine * derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMA CO LTD (JP) 2000-04-05 CN disclosed
CN-1246850-A 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2000-03-08 CN disclosed
CN-1129442-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-08-21 CN disclosed
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 CN disclosed
CN-1074678-A 1, the 5-benzodiazepine derivatives GLAXO SPA (IT) 1993-07-28 CN disclosed