SCHEMBL30906825

SCHEMBL30906825

Cn1cnc(S(=O)(=O)N2CC[C@@H](Nc3ncc(C(F)(F)F)c(-c4cc(C#N)c(CC(C)(C)O)s4)n3)[C@H](F)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 12/20 0.48
▸ CDK2 P24941 12/20 0.48
▸ CCND1 P24385 11/20 0.48
▸ CDK6 Q00534 11/20 0.48
▸ CDK4 P11802 10/20 0.48
▸ CCND3 P30281 10/20 0.48
▸ CDK1 P06493 9/20 0.48
▸ CCNB1 P14635 9/20 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
SCHEMBL30906822 1.00 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213231 1.00 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213117 1.00 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906869 0.94 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213202 0.94 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906839 0.90 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213151 0.90 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906772 0.89 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906902 0.89 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213109 0.89 CCNE1 (0.48) 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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