SCHEMBL14877996

SCHEMBL14877996

CC(C)c1ccc2c(c1)CCN(c1cccc(-c3cn4ccnc4c(NC(C)(C)C)n3)c1CO)C2=O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.46

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
SCHEMBL13531783 0.90 BTK (0.47) BTK
SCHEMBL13547714 0.82 BTK (0.49) BTK
SCHEMBL13531786 0.81 BTK (0.39) BTK
SCHEMBL14878003 0.79 BTK (0.48) BTK
SCHEMBL13526956 0.76 BTK (0.53) BTK
SCHEMBL13531806 0.76 EPHB4 (0.33) BTK
SCHEMBL14878015 0.75 BTK (0.33) BTK
SCHEMBL3176399 0.73 BTK (0.60) BTK
SCHEMBL1542513 0.71 BTK (0.57) BTK
SCHEMBL1542725 0.71 BTK (0.68) 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