SCHEMBL30906794

SCHEMBL30906794

Cc1sc(-c2nc(NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ncc2C(F)(F)F)cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.61
▸ CCNE1 P24864 19/20 0.61
▸ CDK1 P06493 15/20 0.61
▸ CCNB1 P14635 15/20 0.61
▸ CDK4 P11802 13/20 0.61
▸ CCND1 P24385 13/20 0.61
▸ CCND3 P30281 13/20 0.61
▸ CDK6 Q00534 13/20 0.61
▸ CCNT1 O60563 7/20 0.61
▸ CDK7 P50613 7/20 0.61
▸ CDK9 P50750 7/20 0.61
▸ CCNH P51946 7/20 0.61
▸ MNAT1 P51948 7/20 0.61
▸ CCNK O75909 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNE2 O96020 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 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
SCHEMBL27213203 1.00 CDK2 (0.61) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL27213195 0.91 CCNE1 (0.55) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL30906851 0.91 CCNE1 (0.55) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL30906882 0.90 CCNE1 (0.58) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL27213199 0.90 CCNE1 (0.58) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL30906844 0.89 CCNE1 (0.50) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL27213218 0.89 CCNE1 (0.50) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL30906898 0.89 CCNE1 (0.50) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL30906770 0.89 CDK2 (0.50) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL27213169 0.89 CDK2 (0.50) CDK2CCNE1CDK1CCNB1CDK4

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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