SCHEMBL23340730

SCHEMBL23340730

CC[C@]1(O)CCCC1n1c(=O)ccc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 1.00
CDK2 P24941 20/20 1.00
CCND1 P24385 19/20 1.00
CDK6 Q00534 19/20 1.00
CCNT1 O60563 2/20 0.82
CDK4 P11802 2/20 0.82
CDK9 P50750 2/20 0.82
CCND3 P30281 1/20 0.82

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
SCHEMBL19863705 1.00 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19863696 1.00 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29391513 0.90 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL26471035 0.90 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19863681 0.90 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL24104366 0.90 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19857337 0.90 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30393940 0.88 CCNE1 (0.82) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30394155 0.88 CCNE1 (0.82) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL26095908 0.88 CCNE1 (0.82) 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