SCHEMBL30906835

SCHEMBL30906835

C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)c(CC(C)(C)O)s2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.48
▸ CCNE1 P24864 13/20 0.48
▸ CDK4 P11802 9/20 0.48
▸ CCND1 P24385 9/20 0.48
▸ CCND3 P30281 9/20 0.48
▸ CDK6 Q00534 9/20 0.48
▸ CDK1 P06493 9/20 0.48
▸ CCNB1 P14635 9/20 0.48
▸ CCNT1 O60563 4/20 0.48
▸ CDK7 P50613 4/20 0.48
▸ CDK9 P50750 4/20 0.48
▸ CCNH P51946 4/20 0.48
▸ MNAT1 P51948 4/20 0.48
▸ CCNA2 P20248 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ SYK P43405 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CCNK O75909 1/20 0.33

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
SCHEMBL27213144 1.00 CDK2 (0.48) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906885 0.94 CDK2 (0.48) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213216 0.94 CDK2 (0.48) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906778 0.94 CDK2 (0.48) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213228 0.94 CDK2 (0.48) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213133 0.90 CDK2 (0.58) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906846 0.90 CDK2 (0.58) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL27213200 0.89 CDK2 (0.49) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906873 0.89 CDK2 (0.49) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL30906840 0.89 CDK2 (0.46) 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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