SCHEMBL29339043

SCHEMBL29339043

CN(CC(=O)O)Cc1ccc(-c2ccnc(NC3CCOCC3)n2)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 19/20 0.52
▸ MAPK3 P27361 9/20 0.46
▸ CDK2 P24941 8/20 0.46
▸ CCNA2 P20248 7/20 0.46
▸ CCNT1 O60563 1/20 0.44
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ MNAT1 P51948 1/20 0.44

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
SCHEMBL29343631 0.73 MAPK1 (0.63) MAPK1
SCHEMBL29341894 0.73 MAPK1 (0.63) MAPK1MAPK3
SCHEMBL29343703 0.72 MAPK1 (0.61) MAPK1MAPK3
SCHEMBL18794310 0.72 MAPK1 (0.65) MAPK1MAPK3
SCHEMBL29344797 0.72 MAPK1 (0.62) MAPK1MAPK3
SCHEMBL18794026 0.70 MAPK1 (0.64) MAPK1
SCHEMBL18765867 0.70 MAPK1 (0.78) MAPK1MAPK3
SCHEMBL26073368 0.69 CDK1 (0.46) MAPK1CDK2CCNA2CCNT1CCNC
SCHEMBL18794517 0.68 MAPK1 (0.60) MAPK1MAPK3CCNT1CDK9
SCHEMBL18793968 0.68 MAPK1 (1.00) MAPK1MAPK3

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-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
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