SCHEMBL30564411

SCHEMBL30564411

CCSc1cc(=O)c2cc(CC#N)cc(C(C)Br)c2o1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL30564403 0.89 CCNE2 (0.32) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30434136 0.80 SIRT2 (0.38) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564388 0.78 GAA (0.34) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564431 0.77 PIK3CA (0.55) —
SCHEMBL30768042 0.74 KDM4E (0.34) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564356 0.69 CCNE2 (0.32) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30064040 0.69 PIK3CA (0.39) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30307588 0.68 CCNE2 (0.35) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30307581 0.66 GPR35 (0.40) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564425 0.64 CCNE2 (0.34) CCNE2CDK1CDK4CCNB1CCND1

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
CN-116715658-A Benzocyclic ketone derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-09-08 — — CN disclosed
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