SCHEMBL30906879

SCHEMBL30906879

Cn1cc(S(=O)(=O)N2CC[C@H](Nc3ncc(C(F)(F)F)c(-c4cc(C(N)=O)cs4)n3)[C@H](F)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 17/20 0.50
▸ CDK2 P24941 17/20 0.50
▸ CCND1 P24385 13/20 0.50
▸ CDK6 Q00534 13/20 0.50
▸ CDK4 P11802 8/20 0.50
▸ CCND3 P30281 8/20 0.50
▸ CDK1 P06493 8/20 0.50
▸ CCNB1 P14635 8/20 0.50
▸ CCNT1 O60563 4/20 0.50
▸ CDK7 P50613 4/20 0.50
▸ CDK9 P50750 4/20 0.50
▸ CCNH P51946 4/20 0.50
▸ MNAT1 P51948 4/20 0.50
▸ KDR P35968 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ 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
SCHEMBL30906872 1.00 CCNE1 (0.50) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213239 1.00 CCNE1 (0.50) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213108 1.00 CCNE1 (0.50) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213124 0.93 CDK2 (0.50) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906842 0.93 CDK2 (0.50) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906860 0.89 CDK2 (0.61) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213140 0.89 CDK2 (0.61) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906787 0.88 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906889 0.88 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213149 0.88 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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