SCHEMBL18794008

SCHEMBL18794008

CN(CC(=O)N(C)C(C)(C)C)C(CCO)c1ccc(-c2nc(NC3CCOCC3)ncc2Cl)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.58
▸ MAPK3 P27361 1/20 0.56

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
SCHEMBL18794394 0.94 MAPK1 (0.58) MAPK1MAPK3
SCHEMBL29344810 0.80 MAPK1 (0.52) MAPK1MAPK3
SCHEMBL29341895 0.80 MAPK1 (0.62) MAPK1MAPK3
SCHEMBL29342010 0.79 MAPK1 (0.60) MAPK1MAPK3
SCHEMBL29341894 0.78 MAPK1 (0.63) MAPK1MAPK3
SCHEMBL29344884 0.76 MAPK1 (0.64) MAPK1
SCHEMBL18794310 0.74 MAPK1 (0.65) MAPK1MAPK3
SCHEMBL18765612 0.74 MAPK1 (1.00) MAPK1MAPK3
SCHEMBL18765937 0.73 MAPK1 (1.00) MAPK1MAPK3
SCHEMBL30991005 0.72 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
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 — — WO disclosed
Send feedback