SCHEMBL18794084

SCHEMBL18794084

CN(CC(=O)O)Cc1c(F)cc(-c2nc(Cl)ncc2Cl)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.39
▸ NR4A2 P43354 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ERN1 O75460 5/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GRIA1 P42261 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ GRIA3 P42263 1/20 0.30
▸ GRIA4 P48058 1/20 0.30
▸ PDK1 Q15118 1/20 0.30

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
SCHEMBL29340129 0.71 MAPK1 (0.40) MAPK1
SCHEMBL29338952 0.67 BTK (0.37) BTKMAPK1PDK1
SCHEMBL29339015 0.66 BTK (0.38) BTKMAPK1PDK1
SCHEMBL18765545 0.65 BTK (0.36) BTKMAPK1PDK1
SCHEMBL29340146 0.65 BTK (0.36) BTKPDK1
SCHEMBL29340337 0.65 BTK (0.43) BTKERN1MAPK1PDK1
SCHEMBL18793519 0.63 ERN1 (0.33) HIF1AERN1
SCHEMBL18765821 0.62 BTK (0.39) BTK
SCHEMBL18765757 0.61 MAPK1 (0.52) MAPK1
SCHEMBL24853402 0.60 BTK (0.45) BTKMAPK1

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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