SCHEMBL1737240

SCHEMBL1737240

C=CCn1c(C)c(C)c2ccnc(C(C#N)Nc3ccc(F)cc3)c21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
ROCK2 O75116 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 SCHEMBL1736604 0.99 CDK4 (0.32) CDK4CDK2RAB9AKMT2AMAPT
SCHEMBL1737001 0.85 ROCK2 (0.35) RAB9AKMT2AMAPTTDP1CYP1A2
Hydrochloric Acid SCHEMBL1736382 0.85 ROCK2 (0.35) RAB9AKMT2AMAPTTDP1CYP1A2
SCHEMBL3844017 0.83 KMT2A (0.32) RAB9AKMT2AMAPTTDP1CYP1A2
SCHEMBL1736278 0.80 KDM4E (0.32) RAB9AKMT2AMAPTTDP1CYP1A2
Hydrochloric Acid SCHEMBL1736437 0.80 KDM4E (0.32) RAB9AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1735560 0.76 KMT2A (0.37) RAB9AKMT2AMAPTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL1737735 0.75 KMT2A (0.36) RAB9AKMT2AMAPTTDP1ALDH1A1
SCHEMBL1739802 0.74 MAPT (0.42) CDK4CDK2RAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL1735611 0.73 MAPT (0.41) CDK4CDK2RAB9AKMT2AMAPT

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