SCHEMBL23340913

SCHEMBL23340913

NSN1CCC(Nc2ncc3ccc(=O)[nH]c3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.54
▸ MAPK10 P53779 5/20 0.54
▸ MAPK9 P45984 3/20 0.54
▸ CDK2 P24941 11/20 0.50
▸ CCNA2 P20248 3/20 0.50
▸ CDK7 P50613 3/20 0.50
▸ CCNH P51946 3/20 0.50
▸ MNAT1 P51948 3/20 0.50
▸ CCNK O75909 1/20 0.46
▸ CDK12 Q9NYV4 1/20 0.46
▸ CCND1 P24385 9/20 0.41
▸ CCNE1 P24864 8/20 0.41
▸ CDK6 Q00534 8/20 0.41
▸ CDK4 P11802 6/20 0.39
▸ CCNT1 O60563 4/20 0.39
▸ CDK9 P50750 4/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38

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
SCHEMBL23340731 0.88 MAPK8 (0.57) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL23340786 0.86 MAPK8 (0.55) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL23341018 0.84 MAPK8 (0.51) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL17910154 0.84 MAPK8 (0.60) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL19868272 0.83 CDK2 (0.59) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL16802784 0.81 MAPK8 (0.63) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL18148274 0.81 MAPK8 (0.63) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL23340842 0.81 MAPK8 (0.50) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL23341021 0.81 MAPK8 (0.48) MAPK8MAPK10MAPK9CDK2CCNA2
SCHEMBL19868271 0.80 MAPK8 (0.53) MAPK8MAPK10MAPK9CDK2CCNA2

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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