SCHEMBL7874255

SCHEMBL7874255

CCNCC#Cc1ccc(-c2cnc3[nH]ccc3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.49
CDK8 P49336 9/20 0.48
AXL P30530 2/20 0.48
PIK3CA P42336 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ITK Q08881 3/20 0.45
BTK Q06187 2/20 0.45
PLK4 O00444 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
INSR P06213 2/20 0.44
CDK1 P06493 2/20 0.44
ROS1 P08922 2/20 0.44
FER P16591 2/20 0.44
CDK2 P24941 2/20 0.44
MARK3 P27448 2/20 0.44
FLT4 P35916 2/20 0.44

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
SCHEMBL295032 0.83 RIPK1 (0.47) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL293038 0.83 BRD4 (0.50) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL13075963 0.77 RIPK1 (0.54) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL4831501 0.73 CDK8 (0.81) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL14365329 0.72 RIPK1 (0.61) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL14365346 0.72 RIPK1 (0.65) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL13854149 0.70 RIPK1 (0.61) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL15871324 0.70 RIPK1 (0.71) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL294447 0.69 CDK8 (0.69) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL17854924 0.68 RIPK1 (0.64) RIPK1CDK8AXLPIK3CAPIK3CD

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-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed