SCHEMBL30906852

SCHEMBL30906852

Cn1cc(S(=O)(=O)N2CC[C@@H](Nc3ncc(C(F)(F)F)c(-c4ncc(CC(C)(C)O)s4)n3)[C@H](F)C2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.52
▸ CDK2 P24941 19/20 0.52
▸ CCND1 P24385 11/20 0.52
▸ CDK6 Q00534 11/20 0.52
▸ CDK1 P06493 8/20 0.52
▸ CCNB1 P14635 8/20 0.52
▸ CDK4 P11802 8/20 0.52
▸ CCND3 P30281 8/20 0.52
▸ CCNT1 O60563 4/20 0.52
▸ CDK7 P50613 4/20 0.52
▸ CDK9 P50750 4/20 0.52
▸ CCNH P51946 4/20 0.52
▸ MNAT1 P51948 4/20 0.52
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL27213252 1.00 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906864 1.00 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213184 1.00 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213204 0.93 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906809 0.93 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906782 0.90 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213221 0.90 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30906792 0.89 CCNE1 (0.63) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213166 0.89 CCNE1 (0.63) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL27213177 0.88 CCNE1 (0.49) 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
Send feedback