SCHEMBL3787189

SCHEMBL3787189

NC(=O)c1ccccc1-c1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.65
SYK P43405 12/20 0.60
CD63 P08962 5/20 0.60
JAK2 O60674 2/20 0.55
NTRK1 P04629 1/20 0.55
ROS1 P08922 1/20 0.55
CSNK2A2 P19784 1/20 0.55
FLT3 P36888 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
BTK Q06187 1/20 0.55
PTK6 Q13882 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
MAPK9 P45984 2/20 0.52
MAPK10 P53779 2/20 0.52
MAPK8 P45983 1/20 0.52
MAPKAPK5 Q8IW41 5/20 0.49

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
SCHEMBL2475942 0.84 AURKA (0.64) AURKASYKCD63JAK2NTRK1
SCHEMBL23911850 0.82 AURKA (0.81) AURKASYKCD63JAK2NTRK1
SCHEMBL5239871 0.81 BTK (0.54) BTK
SCHEMBL2482275 0.81 AURKA (0.79) AURKASYKCD63JAK2NTRK1
SCHEMBL16295706 0.80 JAK2 (0.68) AURKASYKJAK2MAPK9MAPK10
SCHEMBL21471537 0.79 AURKA (0.73) AURKASYKCD63JAK2NTRK1
SCHEMBL2477946 0.79 SYK (0.69) AURKASYKCD63JAK2NTRK1
SCHEMBL2476035 0.79 AURKA (0.62) AURKASYKCD63JAK2NTRK1
SCHEMBL24864097 0.78 SYK (0.79) AURKASYKCD63JAK2NTRK1
SCHEMBL2482747 0.78 AURKA (0.77) AURKASYKCD63JAK2NTRK1

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-2252617-A1 6-ARYL-IMIDAZ0[L, 2-A]PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2010-11-24 EP claimed
WO-2009102468-A1 6-ARYL-IMIDAZ0[L, 2-A] PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed