SCHEMBL1737196

SCHEMBL1737196

Cc1[nH]c2c(C(Cc3ccc(Cl)c(Cl)c3)Nc3ccc(F)cc3)nccc2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
CYP3A4 P08684 1/20 0.33
CXCR2 P25025 1/20 0.32
PNMT P11086 1/20 0.32
SSTR3 P32745 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30

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
Hydrochloric Acid SCHEMBL1736137 0.99 CYP1A2 (0.36) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL1738138 0.89 CYP1A2 (0.35) MAPK13MAPK12MAPK11MAPK14CYP1A2
Hydrochloric Acid SCHEMBL1736170 0.88 CYP1A2 (0.34) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL1738310 0.87 CYP1A2 (0.36) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL1738588 0.86 CYP1A2 (0.39) MAPK14CYP1A2CYP2C9CYP2C19CDK2
Hydrochloric Acid SCHEMBL1736913 0.86 CYP1A2 (0.35) MAPK13MAPK12MAPK11MAPK14CYP1A2
Hydrochloric Acid SCHEMBL1735323 0.85 CYP1A2 (0.38) MAPK14CYP1A2CYP2C9CYP2C19CDK2
SCHEMBL1737247 0.85 CYP1A2 (0.38) MAPK14CYP1A2CYP2C9CYP2C19CDK2
SCHEMBL1738232 0.85 CYP1A2 (0.38) MAPK14CYP1A2CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL1737762 0.84 CYP1A2 (0.38) MAPK14CYP1A2CYP2C9CYP2C19CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed