SCHEMBL3531322

SCHEMBL3531322

NC1CCC(Nc2cc(Nc3ccc(CS(=O)(=O)O)cc3)c3nccn3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.68
CDK2 P24941 20/20 0.68
FLT3 P36888 20/20 0.68
KIT P10721 1/20 0.44

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
SCHEMBL4575796 0.91 CCNE1 (0.61) CCNE1CDK2FLT3KIT
SCHEMBL3019793 0.89 CCNE1 (0.67) CCNE1CDK2FLT3KIT
SCHEMBL3025496 0.88 CCNE1 (0.80) CCNE1CDK2FLT3KIT
SCHEMBL3025499 0.88 CCNE1 (0.80) CCNE1CDK2FLT3KIT
SCHEMBL3025251 0.85 CDK2 (0.78) CCNE1CDK2FLT3KIT
SCHEMBL3025250 0.85 CDK2 (0.78) CCNE1CDK2FLT3KIT
SCHEMBL3023881 0.85 CCNE1 (0.69) CCNE1CDK2FLT3KIT
SCHEMBL3023887 0.85 CCNE1 (0.69) CCNE1CDK2FLT3KIT
SCHEMBL3526246 0.84 CDK2 (0.71) CCNE1CDK2FLT3KIT
SCHEMBL3526251 0.84 CDK2 (0.71) CCNE1CDK2FLT3KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed