SCHEMBL30906849

SCHEMBL30906849

Cc1cnc(-c2nc(N[C@@H]3CCN(S(=O)(=O)c4cnn(C)c4)C[C@H]3F)ncc2C(F)(F)F)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.54
▸ CDK2 P24941 19/20 0.54
▸ CCND1 P24385 14/20 0.54
▸ CDK6 Q00534 14/20 0.54
▸ CDK1 P06493 8/20 0.54
▸ CCNB1 P14635 8/20 0.54
▸ CDK4 P11802 7/20 0.54
▸ CCND3 P30281 7/20 0.54
▸ CCNT1 O60563 3/20 0.54
▸ CDK7 P50613 3/20 0.54
▸ CDK9 P50750 3/20 0.54
▸ CCNH P51946 3/20 0.54
▸ MNAT1 P51948 3/20 0.54

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
SCHEMBL27213201 1.00 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906759 1.00 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213194 1.00 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213221 0.90 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906782 0.90 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906773 0.89 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213198 0.89 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906823 0.89 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213157 0.89 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906893 0.88 CDK2 (0.67) 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
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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