SCHEMBL3960170

SCHEMBL3960170

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1c[nH]c(=O)c(CNc2ccc(N3CCN(C(C)C)CC3)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.56
BDKRB1 P46663 1/20 0.39
KIT P10721 3/20 0.38
SRC P12931 3/20 0.38
FLT3 P36888 3/20 0.38
ITK Q08881 3/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
BMX P51813 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL3967674 0.88 BTK (0.53) BTKKITSRCFLT3ITK
SCHEMBL3963771 0.85 BTK (0.45) BTKBMX
SCHEMBL3957050 0.83 BTK (0.55) BTKBDKRB1SRCFLT3ITK
SCHEMBL3961204 0.81 BTK (0.52) BTKBDKRB1SRCFLT3ITK
SCHEMBL1321819 0.80 BTK (0.86) BTK
SCHEMBL3964701 0.79 BTK (0.45) BTKKITSRCFLT3ITK
SCHEMBL3958013 0.79 BTK (0.46) BTKKITSRCFLT3ITK
SCHEMBL3953323 0.77 BTK (0.51) BTKKITSRCFLT3ITK
SCHEMBL3658579 0.74 BTK (0.55) BTKKITSRCFLT3ITK
SCHEMBL1322473 0.72 BTK (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081923-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008033854-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed