SCHEMBL30906869

SCHEMBL30906869

C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)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 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 12/20 0.48
▸ CDK2 P24941 12/20 0.48
▸ CDK4 P11802 11/20 0.48
▸ CCND1 P24385 11/20 0.48
▸ CCND3 P30281 11/20 0.48
▸ CDK6 Q00534 11/20 0.48
▸ CDK1 P06493 10/20 0.48
▸ CCNB1 P14635 10/20 0.48
▸ CCNT1 O60563 7/20 0.48
▸ CDK7 P50613 7/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ CCNH P51946 7/20 0.48
▸ MNAT1 P51948 7/20 0.48
▸ SLC6A9 P48067 5/20 0.36

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
SCHEMBL27213202 1.00 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906822 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906825 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213231 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213117 0.94 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213121 0.91 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213151 0.90 CCNE1 (0.57) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906839 0.90 CCNE1 (0.57) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906859 0.89 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213288 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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