SCHEMBL30906846

SCHEMBL30906846

Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cc(C(N)=O)c(CC(C)(C)O)s4)n3)CC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.58
▸ CCNE1 P24864 17/20 0.58
▸ CCND1 P24385 12/20 0.58
▸ CDK6 Q00534 12/20 0.58
▸ CDK1 P06493 11/20 0.58
▸ CCNB1 P14635 11/20 0.58
▸ CDK4 P11802 10/20 0.58
▸ CCND3 P30281 10/20 0.58
▸ CCNT1 O60563 4/20 0.58
▸ CDK7 P50613 4/20 0.58
▸ CDK9 P50750 4/20 0.58
▸ CCNH P51946 4/20 0.58
▸ MNAT1 P51948 4/20 0.58
▸ CCNA2 P20248 3/20 0.44
▸ CCNA1 P78396 2/20 0.44
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40

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
SCHEMBL27213133 1.00 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213144 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906835 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213228 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906778 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213216 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906885 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906855 0.89 CDK2 (0.60) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213205 0.89 CDK2 (0.60) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906858 0.89 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1

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
WO-2024077216-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-04-11 — — WO claimed
WO-2024077216-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-04-11 — — WO disclosed
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