SCHEMBL15875111

SCHEMBL15875111

COc1cccc(-n2ccn(-c3cccc(-c4cn(C)c(=O)c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)c3C)c2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.60

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
SCHEMBL15875181 0.94 BTK (0.61) BTK
SCHEMBL15875348 0.89 BTK (0.70) BTK
SCHEMBL15875332 0.88 BTK (0.62) BTK
SCHEMBL15886599 0.82 BTK (0.65) BTK
SCHEMBL15875765 0.81 BTK (0.61) BTK
SCHEMBL15875217 0.81 BTK (0.68) BTK
SCHEMBL15875104 0.81 BTK (0.70) BTK
SCHEMBL15875103 0.80 BTK (0.68) BTK
SCHEMBL15875267 0.80 BTK (0.69) BTK
SCHEMBL174854 0.79 BTK (0.74) BTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014108820-A1 SUBSTITUTED 2-PYRAZINONE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-17 WO claimed
WO-2014108820-A1 SUBSTITUTED 2-PYRAZINONE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-17 WO disclosed
WO-2014108820-A1 SUBSTITUTED 2-PYRAZINONE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-17 WO disclosed