SCHEMBL30449728

SCHEMBL30449728

CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cn(-c4ccc(Cl)nc4C(F)F)cn3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.57
▸ CDK2 P24941 20/20 0.57
▸ CDK1 P06493 14/20 0.55
▸ CCNB1 P14635 14/20 0.55
▸ CCND1 P24385 11/20 0.55
▸ CDK6 Q00534 11/20 0.55
▸ CDK4 P11802 10/20 0.55
▸ CCND3 P30281 10/20 0.55
▸ CCNT1 O60563 4/20 0.54
▸ CDK7 P50613 4/20 0.54
▸ CDK9 P50750 4/20 0.54
▸ CCNH P51946 4/20 0.54
▸ MNAT1 P51948 4/20 0.54
▸ CCNB2 O95067 3/20 0.45
▸ CCNE2 O96020 3/20 0.45
▸ CDK5 Q00535 3/20 0.45
▸ CDK5R1 Q15078 3/20 0.45
▸ CCNB3 Q8WWL7 3/20 0.45

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
SCHEMBL22977425 1.00 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30449302 0.90 CCNE1 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977466 0.90 CCNE1 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL29821013 0.90 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977143 0.90 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977381 0.89 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977161 0.89 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL29820828 0.89 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977217 0.89 CCNE1 (0.58) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30449104 0.89 CCNE1 (0.58) CCNE1CDK2CDK1CCNB1CCND1

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-116348458-A Imidazolylpyrimidinylamine compounds as CDK2 inhibitors 因赛特公司 2023-06-27 — — CN disclosed
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