SCHEMBL18794310

SCHEMBL18794310

CN(CC(=O)N(C)C(CO)c1ccccc1)Cc1ccc(-c2nc(NC3CCOCC3)ncc2Cl)cc1C=O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.65
▸ MAPK3 P27361 1/20 0.48

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 0.85 MAPK1 (0.63) MAPK1
SCHEMBL29341894 0.83 MAPK1 (0.63) MAPK1MAPK3
SCHEMBL29343703 0.83 MAPK1 (0.61) MAPK1MAPK3
SCHEMBL29345215 0.82 MAPK1 (0.61) MAPK1MAPK3
SCHEMBL29343622 0.82 MAPK1 (0.66) MAPK1
SCHEMBL18794026 0.82 MAPK1 (0.64) MAPK1
SCHEMBL29339878 0.82 MAPK1 (0.58) MAPK1
SCHEMBL29343626 0.81 MAPK1 (0.63) MAPK1
SCHEMBL18794232 0.81 MAPK1 (0.60) MAPK1
SCHEMBL29341864 0.81 MAPK1 (0.61) 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
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 — — WO disclosed
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