SCHEMBL16248131

SCHEMBL16248131

CC(C)(C#N)c1cc(F)c2c(=O)n(N)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.36
SYK P43405 2/20 0.31

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
SCHEMBL609741 0.73 CHEK1 (0.39) BTK
SCHEMBL18866534 0.72 BTK (0.43) BTK
SCHEMBL14696416 0.71 BTK (0.37) BTK
SCHEMBL19910951 0.66 BTK (0.38) BTK
SCHEMBL1041157 0.66 CYP19A1 (0.37)
SCHEMBL31292107 0.63 CA1 (0.41)
SCHEMBL16013601 0.63
SCHEMBL31292221 0.63 CYP19A1 (0.35)
SCHEMBL1626865 0.63 SCN10A (0.36)
SCHEMBL27223739 0.63 CYP19A1 (0.35)

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
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed