SCHEMBL30906770

SCHEMBL30906770

Cc1sc(-c2nc(N[C@H]3CCN(S(=O)(=O)c4cnn(C)c4)C[C@H]3C)ncc2C(F)(F)F)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.50
▸ CCNE1 P24864 17/20 0.50
▸ CDK4 P11802 14/20 0.50
▸ CCND1 P24385 14/20 0.50
▸ CCND3 P30281 14/20 0.50
▸ CDK6 Q00534 14/20 0.50
▸ CDK1 P06493 13/20 0.50
▸ CCNB1 P14635 13/20 0.50
▸ CCNT1 O60563 6/20 0.50
▸ CDK7 P50613 6/20 0.50
▸ CDK9 P50750 6/20 0.50
▸ CCNH P51946 6/20 0.50
▸ MNAT1 P51948 6/20 0.50
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL27213169 1.00 CDK2 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213182 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906844 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213218 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906898 0.93 CCNE1 (0.50) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213284 0.91 CDK2 (0.48) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906826 0.89 CCNE1 (0.47) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213246 0.89 CCNE1 (0.47) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906794 0.89 CDK2 (0.61) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213203 0.89 CDK2 (0.61) CDK2CCNE1CDK4CCND1CCND3

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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