SCHEMBL5233166

SCHEMBL5233166

Cn1nc(C(=O)O)c2c1-c1cn[nH]c1CC2

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.78
CDK2 P24941 20/20 0.78
CCNA1 P78396 20/20 0.78
IKBKB O14920 1/20 0.48

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
SCHEMBL5225911 0.88 CCNA2 (1.00) CCNA2CDK2CCNA1IKBKB
SCHEMBL6799888 0.83 CCNA2 (0.80) CCNA2CDK2CCNA1IKBKB
SCHEMBL5229650 0.83 CCNA2 (0.64) CCNA2CDK2CCNA1
SCHEMBL5230731 0.82 CCNA2 (0.73) CCNA2CDK2CCNA1
SCHEMBL6792687 0.82 CCNA2 (0.65) CCNA2CDK2CCNA1IKBKB
SCHEMBL5227895 0.82 CCNA2 (0.82) CCNA2CDK2CCNA1IKBKB
SCHEMBL5231101 0.81 CCNA2 (0.85) CCNA2CDK2CCNA1IKBKB
SCHEMBL6793939 0.80 CCNA2 (0.69) CCNA2CDK2CCNA1IKBKB
SCHEMBL6792712 0.80 CCNA2 (0.65) CCNA2CDK2CCNA1IKBKB
SCHEMBL5229486 0.79 CCNA2 (0.57) CCNA2CDK2CCNA1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed