SCHEMBL8325671

SCHEMBL8325671

c1ccc(-c2ncc3c(n2)-c2cncnc2CC3)nc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8326151 0.80 CYP1A2 (0.41) CCNA2CDK2KDM4ETDP1
SCHEMBL8324679 0.78 CCNA2 (0.59) CCNA2CDK2
SCHEMBL8329431 0.75 CCNA2 (0.44) CCNA2CDK2KDM4E
SCHEMBL8327052 0.73 CDK2 (0.35) CCNA2CDK2KDM4E
SCHEMBL8327878 0.73 CCNA2 (0.34) CCNA2CDK2KDM4E
SCHEMBL8327742 0.72 CCNA2 (0.34) CCNA2CDK2KDM4E
SCHEMBL8327012 0.68 CYP2A6 (0.46) CCNA2CDK2KDM4E
SCHEMBL6994369 0.68 ALDH1A1 (0.41) KDM4E
SCHEMBL17893783 0.65 HTR2C (0.52)
SCHEMBL8330251 0.65 DUSP10 (0.45) CCNA2CDK2KDM4E

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-0915879-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-05-19 EP claimed
WO-1998001449-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-01-15 WO claimed
EP-0915879-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-05-19 EP disclosed
WO-1998001449-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-01-15 WO disclosed