SCHEMBL8325698

SCHEMBL8325698

N#CC(C#N)=Cc1c[nH]c2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.46
KCNMA1 Q12791 5/20 0.44
KIF20A O95235 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
CHEK1 O14757 1/20 0.40
SNCA P37840 1/20 0.40
TRPA1 O75762 1/20 0.39
DYRK1A Q13627 1/20 0.39
PSMD14 O00487 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL6758573 0.81 MAPT (0.44) APPMAPTKDM4ECYP1A2CYP2C9
SCHEMBL6758571 0.81 MAPT (0.44) APPMAPTKDM4ECYP1A2CYP2C9
SCHEMBL6758597 0.81 NEK2 (0.50) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL6758589 0.81 NEK2 (0.50) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL8322010 0.78 KMT2A (0.54) MAPTKDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL8322008 0.78 KMT2A (0.54) MAPTKDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL6758581 0.76 CHEK1 (0.66) APPMAPTKIF20AKMT2AALDH1A1
SCHEMBL4328855 0.74 APP (1.00) APPMAPTKDM4ECYP1A2CYP2C9
SCHEMBL29956273 0.74 KMT2A (0.54) KDM4ECYP1A2CYP2C19KMT2AMEN1
SCHEMBL2265113 0.74 KMT2A (0.54) KDM4ECYP1A2CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP claimed
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP disclosed
US-5397787-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1995-03-14 US disclosed
EP-0626963-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1994-12-07 EP disclosed
WO-1994014808-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1994-07-07 WO disclosed