SCHEMBL23340720

SCHEMBL23340720

Cc1cc2cnc(NC3CCN(S(=O)(=O)C4CCSC4)CC3)nc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.46
▸ CDK2 P24941 20/20 0.46
▸ CCND1 P24385 15/20 0.46
▸ CDK6 Q00534 15/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CCNE2 O96020 1/20 0.42

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
SCHEMBL19868283 0.89 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868152 0.85 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868293 0.84 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868279 0.82 CCNE1 (0.60) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868140 0.82 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868301 0.82 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL23340820 0.81 BRD4 (0.40) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868273 0.81 CCNE1 (0.57) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868281 0.80 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19868314 0.79 CCNE1 (0.59) 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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