SCHEMBL30906833

SCHEMBL30906833

Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cc(C#N)cs4)n3)CC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.61
▸ CCNE1 P24864 18/20 0.61
▸ CCND1 P24385 13/20 0.61
▸ CDK6 Q00534 13/20 0.61
▸ CDK1 P06493 12/20 0.61
▸ CCNB1 P14635 12/20 0.61
▸ CDK4 P11802 11/20 0.61
▸ CCND3 P30281 11/20 0.61
▸ CCNT1 O60563 6/20 0.61
▸ CDK7 P50613 6/20 0.61
▸ CDK9 P50750 6/20 0.61
▸ CCNH P51946 6/20 0.61
▸ MNAT1 P51948 6/20 0.61
▸ CCNA2 P20248 2/20 0.47
▸ CCNK O75909 1/20 0.46
▸ CDK12 Q9NYV4 1/20 0.46

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
SCHEMBL27213104 1.00 CDK2 (0.61) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906887 0.86 CDK2 (0.61) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213206 0.86 CDK2 (0.61) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213203 0.85 CDK2 (0.61) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213140 0.85 CDK2 (0.61) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906860 0.85 CDK2 (0.61) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906794 0.85 CDK2 (0.61) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213199 0.84 CCNE1 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL30906882 0.84 CCNE1 (0.58) CDK2CCNE1CCND1CDK6CDK1
SCHEMBL27213281 0.83 CDK2 (0.66) CDK2CCNE1CCND1CDK6CDK1

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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