SCHEMBL4802737

SCHEMBL4802737

CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccc(N5CCN(C(=O)O)CC5)cc4)n3)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.79
SYK P43405 7/20 0.78
AURKA O14965 5/20 0.54

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
SCHEMBL2216067 0.94 BTK (0.76) BTKSYKAURKA
SCHEMBL4814294 0.93 BTK (0.78) BTKSYKAURKA
SCHEMBL2216603 0.92 BTK (0.72) BTKSYKAURKA
SCHEMBL4808681 0.91 BTK (0.78) BTKSYKAURKA
SCHEMBL4810656 0.91 BTK (0.71) BTKSYKAURKA
SCHEMBL4807292 0.91 BTK (0.77) BTKSYKAURKA
SCHEMBL2217099 0.91 BTK (0.77) BTKSYKAURKA
SCHEMBL12514841 0.89 BTK (0.74) BTKSYKAURKA
SCHEMBL2217640 0.89 BTK (1.00) BTKSYKAURKA
SCHEMBL29523904 0.89 BTK (1.00) BTKSYKAURKA

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-7405295-B2 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed