SCHEMBL30906840

SCHEMBL30906840

C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)c(CC(C)(C)O)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.46
▸ CCNE1 P24864 12/20 0.46
▸ CDK6 Q00534 12/20 0.46
▸ CCND1 P24385 11/20 0.46
▸ CCND3 P30281 11/20 0.46
▸ CDK4 P11802 10/20 0.46
▸ CDK1 P06493 6/20 0.46
▸ CCNB1 P14635 6/20 0.46
▸ CCNT1 O60563 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ MAPK3 P27361 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37

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
SCHEMBL27213115 1.00 CDK2 (0.46) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL30906835 0.89 CDK2 (0.48) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL27213144 0.89 CDK2 (0.48) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL30906858 0.89 CDK2 (0.58) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL27213163 0.89 CDK2 (0.58) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL30906831 0.88 CCND3 (0.47) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL27213155 0.88 CCND3 (0.47) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL27213342 0.84 CCNE1 (0.49) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL30906884 0.83 CDK6 (0.47) CDK2CCNE1CDK6CCND1CCND3
SCHEMBL30906843 0.83 CCNE1 (0.49) CDK2CCNE1CDK6CCND1CCND3

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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