SCHEMBL7471065

SCHEMBL7471065

N#C/C(=C\c1ccnc2ccccc12)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
BLM P54132 1/20 0.47
EGFR P00533 2/20 0.46
LCK P06239 1/20 0.46
NEK2 P51955 2/20 0.45
PLK1 P53350 2/20 0.45
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44
GLA P06280 1/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL1388456 1.00 MCL1 (0.51) MCL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL1388454 1.00 MCL1 (0.51) MCL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL4659943 0.87 KMT2A (0.49) KDM4EKMT2ACYP1A2CYP2C9MEN1
SCHEMBL4659942 0.87 KMT2A (0.49) KDM4EKMT2ACYP1A2CYP2C9MEN1
SCHEMBL8830539 0.81 MCL1 (0.49) MCL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL8830541 0.81 MCL1 (0.49) MCL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL30092587 0.81 MAPT (0.48) KDM4EKMT2ACYP1A2CYP2C9MEN1
SCHEMBL988361 0.80 MAPT (0.60) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4661337 0.80 POLB (0.43) KDM4EKMT2ACYP1A2CYP2C9MEN1
SCHEMBL4661339 0.80 POLB (0.43) KDM4EKMT2ACYP1A2CYP2C9MEN1

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