SCHEMBL30906815

SCHEMBL30906815

C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2ncc(C(C)(O)C(F)F)s2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.49
▸ CDK2 P24941 19/20 0.49
▸ CCND1 P24385 12/20 0.49
▸ CDK6 Q00534 12/20 0.49
▸ CDK4 P11802 10/20 0.49
▸ CCND3 P30281 10/20 0.49
▸ CDK1 P06493 10/20 0.49
▸ CCNB1 P14635 10/20 0.49
▸ CCNT1 O60563 4/20 0.49
▸ CDK7 P50613 4/20 0.49
▸ CDK9 P50750 4/20 0.49
▸ CCNH P51946 4/20 0.49
▸ MNAT1 P51948 4/20 0.49
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34

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
SCHEMBL27213172 1.00 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906866 0.94 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213192 0.94 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906890 0.92 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213146 0.92 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906871 0.88 CCND3 (0.47) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213179 0.88 CCND3 (0.47) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213131 0.88 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906862 0.88 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906814 0.87 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4

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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