SCHEMBL30906818

SCHEMBL30906818

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.59
▸ CCNE1 P24864 17/20 0.59
▸ CCND1 P24385 14/20 0.54
▸ CDK1 P06493 13/20 0.54
▸ CDK6 Q00534 12/20 0.54
▸ CCNB1 P14635 11/20 0.54
▸ CDK4 P11802 11/20 0.54
▸ CCND3 P30281 9/20 0.54
▸ CCNA2 P20248 1/20 0.52
▸ CCNA1 P78396 1/20 0.52
▸ CCNT1 O60563 3/20 0.48
▸ CDK7 P50613 3/20 0.48
▸ CDK9 P50750 3/20 0.48
▸ CCNH P51946 3/20 0.48
▸ MNAT1 P51948 3/20 0.48
▸ CCNB2 O95067 1/20 0.45
▸ CCNE2 O96020 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45

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
SCHEMBL27213152 1.00 CDK2 (0.59) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213106 0.88 CCNE1 (0.48) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213176 0.88 CCNE1 (0.48) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906811 0.88 CCNE1 (0.48) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906831 0.88 CCND3 (0.47) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213155 0.88 CCND3 (0.47) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906836 0.88 CCNE1 (0.48) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906855 0.88 CDK2 (0.60) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL27213205 0.88 CDK2 (0.60) CDK2CCNE1CCND1CDK1CDK6
SCHEMBL30906858 0.87 CDK2 (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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