SCHEMBL16798530

SCHEMBL16798530

NC(=O)c1nnc(N2CCC[C@@H](Nc3ccc(Oc4ccccc4)cc3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.87
LCK P06239 4/20 0.74
EGFR P00533 2/20 0.74
JAK3 P52333 1/20 0.72

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
SCHEMBL16798531 1.00 BTK (0.87) BTKLCKEGFRJAK3
SCHEMBL16798675 0.94 EGFR (0.83) BTKLCKEGFRJAK3
SCHEMBL16798676 0.94 EGFR (0.83) BTKLCKEGFRJAK3
SCHEMBL16764465 0.93 BTK (1.00) BTKLCKEGFRJAK3
SCHEMBL16764965 0.93 BTK (1.00) BTKLCKEGFRJAK3
SCHEMBL16798743 0.91 BTK (0.84) BTKLCKEGFRJAK3
SCHEMBL16798744 0.91 BTK (0.84) BTKLCKEGFRJAK3
SCHEMBL16798601 0.89 BTK (0.82) BTKLCKEGFR
SCHEMBL16798602 0.89 BTK (0.82) BTKLCKEGFR
SCHEMBL16798694 0.89 LCK (0.87) BTKLCKEGFRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 EP disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 WO disclosed