SCHEMBL1422358

SCHEMBL1422358

Cc1[nH]c(=O)c(Nc2ccc(C3CCN(C)CC3)nn2)cc1-c1ccc(F)c(NC(=O)c2cc3c(s2)C2CCC3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.40
FGR P09769 1/20 0.34
SRC P12931 1/20 0.34
TEC P42680 1/20 0.34
BMX P51813 1/20 0.34
CDK6 Q00534 2/20 0.34
CCND1 P24385 1/20 0.34
WDR5 P61964 3/20 0.32
HTR1F P30939 2/20 0.31
CDK4 P11802 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL1422702 0.90 BTK (0.35) BTKFGRSRCTECBMX
SCHEMBL1422549 0.89 BTK (0.43) BTKFGRSRCTECBMX
SCHEMBL1422824 0.89 BTK (0.42) BTKFGRSRCTECBMX
SCHEMBL1422360 0.85 BTK (0.39) BTKFGRTECBMXCDK6
SCHEMBL1422767 0.84 BTK (0.42) BTKFGRTECBMXCCND1
SCHEMBL1422626 0.84 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL1422703 0.80 CDK6 (0.40) BTKFGRTECBMXCDK6
SCHEMBL1422829 0.80 CCND1 (0.40) BTKFGRSRCTECBMX
SCHEMBL1423152 0.79 CDK6 (0.41) BTKFGRTECBMXCDK6
SCHEMBL1422539 0.79 BTK (0.39) BTKFGRSRCTECBMX

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
EP-2297105-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed