SCHEMBL7464750

SCHEMBL7464750

N#CC(=Cc1cccc2cnccc12)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
PIP4K2A P48426 1/20 0.51
NEK2 P51955 4/20 0.49
PLK1 P53350 2/20 0.49
HTT P42858 1/20 0.49
MCL1 Q07820 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
BLM P54132 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL7464747 1.00 KDM4E (0.54) KDM4EPIP4K2ANEK2PLK1HTT
SCHEMBL9027589 0.83 MCL1 (0.57) KDM4EHTTMCL1CYP1A2CYP2C9
SCHEMBL7472490 0.81 KMT2A (0.61) KDM4EPIP4K2ACYP1A2MEN1KMT2A
SCHEMBL7455893 0.79 MAPT (0.55) KDM4EHTTCYP1A2MEN1KMT2A
SCHEMBL7460265 0.78 LMNA (0.57) KDM4EPIP4K2APLK1HTTCYP1A2
SCHEMBL7465717 0.77 MEN1 (0.54) PIP4K2APLK1HTTMEN1KMT2A
SCHEMBL7466157 0.77 TRPV1 (0.55) KDM4EPIP4K2AHTTCYP1A2CYP2C9
SCHEMBL6755563 0.75 KDM4E (0.52) KDM4ENEK2PLK1MCL1CYP1A2
SCHEMBL6755562 0.75 KDM4E (0.52) KDM4ENEK2PLK1MCL1CYP1A2
SCHEMBL7456816 0.75 BCL2A1 (0.48) KDM4EHTTCYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700388-B1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-09-18 EP claimed
EP-0700388-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1996-03-13 EP claimed
WO-1995026341-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1995-10-05 WO claimed
EP-0700388-B1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-09-18 EP disclosed
US-5652250-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1997-07-29 US disclosed
EP-0700388-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1996-03-13 EP disclosed
WO-1995026341-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1995-10-05 WO disclosed