SCHEMBL30906871

SCHEMBL30906871

C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2ncc(C(C)(O)C(F)F)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCND3 P30281 13/20 0.47
▸ CDK6 Q00534 13/20 0.47
▸ CDK4 P11802 12/20 0.47
▸ CCND1 P24385 12/20 0.47
▸ CCNE1 P24864 13/20 0.45
▸ CDK2 P24941 13/20 0.45
▸ CDK1 P06493 8/20 0.45
▸ CCNB1 P14635 8/20 0.45
▸ CCNT1 O60563 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ MAPK3 P27361 1/20 0.39

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
SCHEMBL27213179 1.00 CCND3 (0.47) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL27213219 0.93 CCND3 (0.49) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL27213172 0.88 CCNE1 (0.49) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL30906815 0.88 CCNE1 (0.49) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL27213193 0.88 CCNE1 (0.58) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL30906862 0.88 CCNE1 (0.49) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL27213131 0.88 CCNE1 (0.49) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL30906847 0.86 CDK4 (0.48) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL27213181 0.86 CDK4 (0.48) CCND3CDK6CDK4CCND1CCNE1
SCHEMBL30906843 0.85 CCNE1 (0.49) CCND3CDK6CDK4CCND1CCNE1

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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