SCHEMBL13626485

SCHEMBL13626485

CCc1sc(C(=O)Nc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCN(C)CC5)cc4)n3)ccc2F)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.47
BTK Q06187 2/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
ROS1 P08922 1/20 0.42
CSNK2A2 P19784 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PTK6 Q13882 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKA O14965 1/20 0.42
CD63 P08962 2/20 0.41

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
SCHEMBL13626185 0.85 JAK2 (0.53) SYKBTKJAK2NTRK1ROS1
SCHEMBL1422423 0.82 SYK (0.46) SYKBTKJAK2NTRK1ROS1
SCHEMBL13626131 0.78 BTK (0.43) BTK
SCHEMBL13626133 0.77 BTK (0.57) BTK
SCHEMBL13626128 0.76 BTK (0.41) BTK
SCHEMBL13626122 0.76 BTK (0.55) BTK
SCHEMBL13626829 0.75 BTK (0.55) BTK
SCHEMBL13626132 0.75 BTK (0.50) BTK
SCHEMBL13626828 0.75 BTK (0.43) BTKNTRK1
SCHEMBL13626831 0.73 BTK (0.51) 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
WO-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed