SCHEMBL23340893

SCHEMBL23340893

C[S+]([O-])N1CCC(Nc2ncc3cc(C(F)(F)F)c(=O)n(C4CCCC4)c3n2)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.74
▸ CDK2 P24941 20/20 0.74
▸ CCND1 P24385 15/20 0.74
▸ CDK6 Q00534 15/20 0.74
▸ CCNT1 O60563 5/20 0.55
▸ CDK9 P50750 5/20 0.55
▸ CDK4 P11802 4/20 0.55
▸ CCND3 P30281 1/20 0.54
▸ RB1 P06400 1/20 0.51
▸ CDK1 P06493 1/20 0.51

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
SCHEMBL19857382 0.85 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL25908984 0.78 CCNE1 (0.86) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19857315 0.76 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868287 0.75 CCNE1 (0.80) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL26098644 0.73 CCND1 (0.83) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30393734 0.73 CCND1 (0.83) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19857313 0.72 CCND1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19863604 0.72 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19863601 0.71 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL24104309 0.71 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CCNT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497103-B1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER (US) 2021-05-05 — — EP disclosed
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