SCHEMBL30564356

SCHEMBL30564356

CCSc1cc(=O)c2cc(C)nc(C(C)Br)c2o1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ELANE P08246 1/20 0.32

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
SCHEMBL30564440 0.88 CCNE2 (0.34) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564398 0.82 ELANE (0.35) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL25532412 0.82 ELANE (0.35) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564469 0.79 ELANE (0.32) ELANE
SCHEMBL23887207 0.77 PIK3CA (0.37) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564491 0.76 CCNE2 (0.35) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30564472 0.74 — —
SCHEMBL30434136 0.73 SIRT2 (0.38) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL23887120 0.73 CCNE2 (0.33) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL23887280 0.72 GPR35 (0.35) 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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