SCHEMBL30906860

SCHEMBL30906860

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.61
▸ CCNE1 P24864 18/20 0.61
▸ CDK1 P06493 12/20 0.61
▸ CCNB1 P14635 12/20 0.61
▸ CCND1 P24385 11/20 0.61
▸ CDK6 Q00534 11/20 0.61
▸ CDK4 P11802 9/20 0.61
▸ CCND3 P30281 9/20 0.61
▸ CCNT1 O60563 3/20 0.61
▸ CDK7 P50613 3/20 0.61
▸ CDK9 P50750 3/20 0.61
▸ CCNH P51946 3/20 0.61
▸ MNAT1 P51948 3/20 0.61
▸ CCNA2 P20248 2/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ CCNB2 O95067 2/20 0.43
▸ CCNE2 O96020 2/20 0.43
▸ CDK5 Q00535 2/20 0.43

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
SCHEMBL27213140 1.00 CDK2 (0.61) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL27213124 0.89 CDK2 (0.50) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL27213239 0.89 CCNE1 (0.50) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30906879 0.89 CCNE1 (0.50) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL27213108 0.89 CCNE1 (0.50) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30906842 0.89 CDK2 (0.50) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30906872 0.89 CCNE1 (0.50) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL27213215 0.87 CDK2 (0.58) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30906854 0.87 CDK2 (0.58) CDK2CCNE1CDK1CCNB1CCND1
SCHEMBL30906855 0.86 CDK2 (0.60) CDK2CCNE1CDK1CCNB1CCND1

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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