SCHEMBL13289016

SCHEMBL13289016

Bc1cnn2c(NCc3cccc(NS(=O)(=O)c4ccc(F)cc4F)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.46
▸ GSK3B P49841 5/20 0.46
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ PFKFB3 Q16875 1/20 0.36
▸ TP53 P04637 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GPR39 O43194 1/20 0.35

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
SCHEMBL13289121 0.94 CDK2 (0.46) CDK2GSK3BCCNA2CCNA1RET
SCHEMBL13288909 0.93 CDK2 (0.50) CDK2GSK3BCCNA2CCNA1RET
SCHEMBL14043404 0.92 GSK3B (0.44) CDK2GSK3BCCNA2CCNA1USP2
SCHEMBL13120781 0.91 CDK2 (0.58) CDK2GSK3BCCNA2CCNA1
SCHEMBL13288985 0.90 CDK2 (0.48) CDK2GSK3BCCNA2CCNA1RET
SCHEMBL13289239 0.90 GSK3B (0.51) CDK2GSK3BCCNA2CCNA1RET
SCHEMBL13288905 0.89 CDK2 (0.51) CDK2GSK3BCCNA2CCNA1RET
SCHEMBL13289093 0.87 CDK2 (0.48) CDK2GSK3BCCNA2CCNA1TP53
SCHEMBL13289444 0.85 CDK2 (0.49) CDK2GSK3BCCNA2CCNA1RET
SCHEMBL13120803 0.85 CDK2 (0.58) CDK2GSK3BCCNA2CCNA1

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-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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