SCHEMBL30906781

SCHEMBL30906781

Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cc(C(N)=O)c(CC(C)(C)O)s4)n3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.57
▸ CCNE1 P24864 17/20 0.57
▸ CCND1 P24385 13/20 0.57
▸ CDK6 Q00534 13/20 0.57
▸ CDK1 P06493 12/20 0.57
▸ CCNB1 P14635 12/20 0.57
▸ CDK4 P11802 11/20 0.57
▸ CCND3 P30281 11/20 0.57
▸ CCNT1 O60563 5/20 0.57
▸ CDK7 P50613 5/20 0.57
▸ CDK9 P50750 5/20 0.57
▸ CCNH P51946 5/20 0.57
▸ MNAT1 P51948 5/20 0.57
▸ CCNA2 P20248 2/20 0.42
▸ CCNA1 P78396 2/20 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
SCHEMBL27213137 1.00 CDK2 (0.57) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906905 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906881 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213186 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213154 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906846 0.88 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213133 0.88 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906858 0.88 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213163 0.88 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906839 0.88 CCNE1 (0.57) 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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