SCHEMBL1738538

SCHEMBL1738538

CCn1c(C)c(C)c2ccnc(-c3ccc(F)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.38
TGFBR1 P36897 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPK14 Q16539 8/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 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 SCHEMBL1736798 0.99 KMT2A (0.39) KMT2AKDM4EMEN1TSHRBCHE
SCHEMBL1737627 0.89 MAPK14 (0.42) KMT2AKDM4ETSHRBCHETGFBR1
SCHEMBL1737146 0.89 MCL1 (0.38) KMT2AKDM4EMEN1BCHEMCL1
Hydrochloric Acid SCHEMBL1736543 0.88 MAPK14 (0.42) KMT2AKDM4ETSHRBCHETGFBR1
Hydrochloric Acid SCHEMBL1738501 0.87 MCL1 (0.38) KMT2AKDM4EMEN1BCHEMCL1
SCHEMBL1737407 0.86 KDM4E (0.44) KDM4ETSHRBCHETGFBR1MCL1
SCHEMBL1738892 0.86 MCL1 (0.48) KMT2AKDM4EMEN1MCL1MAPT
SCHEMBL1737433 0.86 LMNA (0.40) KMT2AKDM4EMEN1PDE3BPDE3A
SCHEMBL1737577 0.86 RPS6KA5 (0.42) KDM4EBCHEMCL1CCNA2CDK2
SCHEMBL1738299 0.85 MAPK14 (0.44) KMT2ABCHETGFBR1MCL1MAPK14

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 6 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
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