SCHEMBL30906883

SCHEMBL30906883

C[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 14/20 0.38
▸ CDK2 P24941 14/20 0.38
▸ CDK4 P11802 8/20 0.38
▸ CCND1 P24385 8/20 0.38
▸ CCND3 P30281 8/20 0.38
▸ CDK6 Q00534 8/20 0.38
▸ CDK1 P06493 8/20 0.38
▸ CCNB1 P14635 8/20 0.38
▸ CDK7 P50613 6/20 0.38
▸ CCNH P51946 6/20 0.38
▸ MNAT1 P51948 6/20 0.38
▸ CCNT1 O60563 6/20 0.38
▸ CDK9 P50750 6/20 0.38
▸ CCNK O75909 4/20 0.35
▸ CDK12 Q9NYV4 4/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ LCK P06239 1/20 0.34
▸ SMYD3 Q9H7B4 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
SCHEMBL27213255 1.00 CCNE1 (0.38) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213225 0.90 CCNE1 (0.50) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906857 0.90 CCNE1 (0.50) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906884 0.88 CDK6 (0.47) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213229 0.88 CDK6 (0.47) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906912 0.88 CCNE1 (0.38) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213248 0.88 CCNE1 (0.38) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906842 0.87 CDK2 (0.50) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213124 0.87 CDK2 (0.50) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906832 0.87 CDK2 (0.38) CCNE1CDK2CDK4CCND1CCND3

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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