SCHEMBL30449186

SCHEMBL30449186

CS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cn(-c4ccccc4Br)cn3)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.61
▸ CDK2 P24941 18/20 0.61
▸ CDK1 P06493 13/20 0.61
▸ CCNB1 P14635 13/20 0.61
▸ CCND1 P24385 12/20 0.61
▸ CDK6 Q00534 12/20 0.61
▸ CDK4 P11802 11/20 0.61
▸ CCND3 P30281 11/20 0.61
▸ CCNT1 O60563 5/20 0.52
▸ CDK7 P50613 5/20 0.52
▸ CDK9 P50750 5/20 0.52
▸ CCNH P51946 5/20 0.52
▸ MNAT1 P51948 5/20 0.52
▸ MAPK3 P27361 1/20 0.47
▸ CCNB2 O95067 1/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ PTK2 Q05397 1/20 0.46

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
SCHEMBL22977093 1.00 CCNE1 (0.61) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977479 0.92 CCNE1 (0.59) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30449433 0.91 CDK2 (0.71) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977426 0.91 CDK2 (0.71) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977281 0.90 CCNE1 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL30449838 0.90 CCNE1 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977461 0.90 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL29820976 0.90 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22976918 0.88 CCNE1 (0.60) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL22977173 0.88 CCNE1 (0.59) 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 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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