SCHEMBL12671997

SCHEMBL12671997

CCn1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)nc(Nc2ccc(C=O)cc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.59

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
SCHEMBL1069418 0.91 BTK (0.61) BTK
SCHEMBL1067863 0.91 BTK (0.61) BTK
SCHEMBL1069347 0.90 BTK (0.61) BTK
SCHEMBL1065246 0.90 BTK (0.61) BTK
SCHEMBL1066324 0.90 BTK (0.73) BTK
SCHEMBL1067646 0.88 BTK (0.58) BTK
SCHEMBL16716411 0.88 BTK (0.58) BTK
SCHEMBL1065248 0.86 BTK (0.56) BTK
SCHEMBL1067644 0.86 BTK (0.56) BTK
SCHEMBL12637348 0.86 BTK (0.56) 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-7947835-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed