SCHEMBL3968149

SCHEMBL3968149

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.53
BMX P51813 1/20 0.45
KIT P10721 1/20 0.44
SRC P12931 1/20 0.44
FLT3 P36888 1/20 0.44
ITK Q08881 1/20 0.44
PPARG P37231 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3956979 0.83 BTK (0.47) BTKKDM4EMEN1POLBRAB9A
SCHEMBL3969273 0.82 BTK (0.46) BTKKDM4EMEN1POLBRAB9A
SCHEMBL171471 0.78 BTK (0.67) BTKBMXKITSRCFLT3
SCHEMBL3953323 0.74 BTK (0.51) BTKBMXKITSRCFLT3
SCHEMBL13894298 0.74 ITK (0.45) BTKKITSRCFLT3ITK
SCHEMBL3964067 0.74 BTK (0.44) BTKKDM4EMEN1POLBRAB9A
SCHEMBL3870962 0.73 BTK (0.70) BTKBMXKITSRCFLT3
SCHEMBL3964057 0.72 TDP1 (0.47) BTKKDM4EMEN1POLBRAB9A
SCHEMBL171935 0.71 BTK (0.59) BTKBMXKITSRCFLT3
SCHEMBL1322874 0.70 BTK (0.77) 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