SCHEMBL29675767

SCHEMBL29675767

CC(C(=O)N[C@H](CO)c1cccc(N2CCN(C)CC2)n1)N1Cc2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.59

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
SCHEMBL31592602 0.89 MAPK1 (0.64) MAPK1
SCHEMBL29676273 0.83 MAPK1 (0.65) MAPK1
SCHEMBL29338318 0.82 MAPK1 (0.48) MAPK1
SCHEMBL18793898 0.82 MAPK1 (0.47) MAPK1
SCHEMBL24925820 0.80 MAPK1 (0.46) MAPK1
SCHEMBL29676274 0.78 HTR3E (0.46) MAPK1
SCHEMBL20720116 0.76 MAPK1 (0.89) MAPK1
SCHEMBL20720118 0.76 MAPK1 (0.89) MAPK1
SCHEMBL18794712 0.76 MAPK1 (0.87) MAPK1
SCHEMBL18794264 0.76 MAPK1 (0.89) MAPK1

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
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed