SCHEMBL30449320

SCHEMBL30449320

CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cn(-c4ccc(CN5CCC5)nc4C(F)(F)F)cn3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.55
▸ CDK2 P24941 19/20 0.55
▸ CCND1 P24385 13/20 0.53
▸ CDK6 Q00534 13/20 0.53
▸ CDK1 P06493 12/20 0.53
▸ CCNB1 P14635 12/20 0.53
▸ CDK4 P11802 11/20 0.53
▸ CCND3 P30281 11/20 0.53
▸ CCNT1 O60563 6/20 0.50
▸ CDK9 P50750 6/20 0.50
▸ CDK7 P50613 5/20 0.50
▸ CCNH P51946 5/20 0.50
▸ MNAT1 P51948 5/20 0.50
▸ PTK2 Q05397 1/20 0.43
▸ CCNK O75909 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42

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
SCHEMBL22977195 1.00 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30449724 0.93 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22977236 0.93 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22977235 0.91 CCNE1 (0.60) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL29821495 0.91 CCNE1 (0.60) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22977345 0.91 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30449311 0.91 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22977488 0.90 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22976996 0.90 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL23001302 0.88 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK1

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