SCHEMBL14878003

SCHEMBL14878003

CC(C)c1ccc2c(=O)n(-c3cccc(-c4cn5ccnc5c(NC(C)(C)C)n4)c3CO)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.48

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
SCHEMBL13531803 0.90 BTK (0.61) BTK
SCHEMBL13531804 0.80 BTK (0.51) BTK
SCHEMBL14877996 0.79 BTK (0.46) BTK
SCHEMBL14878015 0.79 BTK (0.33) BTK
SCHEMBL13527017 0.77 BTK (0.61) BTK
SCHEMBL14878017 0.71 BTK (0.33) BTK
SCHEMBL13531783 0.70 BTK (0.47) BTK
SCHEMBL13531801 0.70 BTK (0.40) BTK
SCHEMBL13527018 0.68 BTK (0.52) BTK
SCHEMBL14878010 0.68 BTK (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426409-B2 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed