SCHEMBL3844017

SCHEMBL3844017

C=CCn1c(C)c(C)c2ccnc(C(C=O)Nc3ccc(F)cc3)c21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ROCK2 O75116 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 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
SCHEMBL1737001 0.86 ROCK2 (0.35) KMT2ARAB9AKDM4EROCK2MAPT
Hydrochloric Acid SCHEMBL1736382 0.85 ROCK2 (0.35) KMT2ARAB9AKDM4EROCK2MAPT
SCHEMBL1737240 0.83 CDK4 (0.32) KMT2ARAB9AROCK2MAPTTDP1
Hydrochloric Acid SCHEMBL1736604 0.82 CDK4 (0.32) KMT2ARAB9AMAPTTDP1CYP1A2
SCHEMBL1736278 0.81 KDM4E (0.32) KMT2ARAB9AKDM4EROCK2MAPT
Hydrochloric Acid SCHEMBL1736437 0.81 KDM4E (0.32) KMT2ARAB9AKDM4EROCK2CYP1A2
SCHEMBL1735560 0.77 KMT2A (0.37) KMT2ARAB9AKDM4EROCK2MAPT
Hydrochloric Acid SCHEMBL1737735 0.76 KMT2A (0.36) KMT2ARAB9AKDM4EROCK2MAPT
SCHEMBL1739802 0.74 MAPT (0.42) KMT2ARAB9AKDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL1735611 0.74 MAPT (0.41) KMT2ARAB9AKDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed