SCHEMBL30906858

SCHEMBL30906858

CC(C)(O)Cc1sc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C(F)(F)F)cc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.58
▸ CCNE1 P24864 16/20 0.58
▸ CCND1 P24385 15/20 0.58
▸ CDK1 P06493 13/20 0.58
▸ CDK6 Q00534 12/20 0.58
▸ CDK4 P11802 12/20 0.58
▸ CCNB1 P14635 10/20 0.58
▸ CCND3 P30281 9/20 0.58
▸ CCNT1 O60563 3/20 0.49
▸ CDK7 P50613 3/20 0.49
▸ CDK9 P50750 3/20 0.49
▸ CCNH P51946 3/20 0.49
▸ MNAT1 P51948 3/20 0.49
▸ CCNA2 P20248 1/20 0.48
▸ CCNA1 P78396 1/20 0.48

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
SCHEMBL27213163 1.00 CDK2 (0.58) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213115 0.89 CDK2 (0.46) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906840 0.89 CDK2 (0.46) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906846 0.89 CDK2 (0.58) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213133 0.89 CDK2 (0.58) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906781 0.88 CDK2 (0.57) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213137 0.88 CDK2 (0.57) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906818 0.87 CDK2 (0.59) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213152 0.87 CDK2 (0.59) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906827 0.86 CCNE1 (0.58) CDK2CCNE1CCND1CDK1CDK6

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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