SCHEMBL1447683

SCHEMBL1447683

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cc3)ncc2F)n1C1CCC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.78
▸ CDK1 P06493 9/20 0.78
▸ KCNH2 Q12809 4/20 0.50
▸ CDK4 P11802 3/20 0.48
▸ CDK6 Q00534 3/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ CSF1R P07333 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
SCHEMBL1447657 1.00 CDK2 (0.78) CDK2CDK1KCNH2CDK4CDK6
Hydrochloric Acid SCHEMBL4246263 0.88 CDK2 (0.66) CDK2CDK1KCNH2CDK4CDK6
SCHEMBL1447395 0.87 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1447982 0.87 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1448906 0.85 CDK2 (0.65) CDK2CDK1KCNH2CDK4CDK6
SCHEMBL1448567 0.85 CDK2 (0.65) CDK2CDK1KCNH2CDK4CDK6
SCHEMBL1447839 0.84 CDK2 (0.67) CDK2CDK1KCNH2CDK4CDK6
SCHEMBL3937001 0.84 CDK2 (0.72) CDK2CDK1KCNH2CDK6
Hydrochloric Acid SCHEMBL4247263 0.83 CDK2 (0.71) CDK2CDK1KCNH2CDK6
Hydrochloric Acid SCHEMBL4246172 0.82 CDK2 (0.60) CDK2CDK1KCNH2

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-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 — — EP disclosed
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