SCHEMBL1737168

SCHEMBL1737168

COc1ccc(Cn2c(C)c(C)c3ccnc(N4CCc5cc(F)ccc5C4C)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.35
DRD4 P21917 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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 SCHEMBL1737811 0.99 CCNT1 (0.37) CCNT1CDK9MAPTTP53PIK3R1
SCHEMBL1737566 0.88 HTR6 (0.35) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1738675 0.88 SIGMAR1 (0.39) MAPTCNR2POLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL1737200 0.87 SIGMAR1 (0.40) MAPTPOLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1737036 0.87 HTR6 (0.35) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1737781 0.86 MAPT (0.39) MAPTALDH1A1KDM4E
SCHEMBL1736826 0.86 CYP2D6 (0.37) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1735581 0.85 MAPT (0.38) MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1737021 0.85 CYP2D6 (0.37) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1738899 0.85 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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