SCHEMBL30906859

SCHEMBL30906859

C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cc(C#N)c(CC(C)(C)O)s2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 17/20 0.48
▸ CDK2 P24941 17/20 0.48
▸ CDK4 P11802 14/20 0.48
▸ CCND1 P24385 14/20 0.48
▸ CCND3 P30281 14/20 0.48
▸ CDK6 Q00534 14/20 0.48
▸ CDK1 P06493 13/20 0.48
▸ CCNB1 P14635 13/20 0.48
▸ CCNT1 O60563 9/20 0.48
▸ CDK7 P50613 9/20 0.48
▸ CDK9 P50750 9/20 0.48
▸ CCNH P51946 9/20 0.48
▸ MNAT1 P51948 9/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33

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
SCHEMBL27213288 1.00 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906772 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906902 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213109 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213308 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213284 0.91 CDK2 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213233 0.90 CCNE1 (0.58) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906896 0.90 CCNE1 (0.58) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906869 0.89 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213202 0.89 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3

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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