SCHEMBL2472309

SCHEMBL2472309

Nc1nccc2scc(-c3ccc(NC(=O)O)cc3)c12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.80
AURKA O14965 5/20 0.69
AURKB Q96GD4 5/20 0.69
ROCK2 O75116 4/20 0.69
RPS6KA5 O75582 4/20 0.69
MAP4K4 O95819 4/20 0.69
LCK P06239 4/20 0.69
LYN P07948 4/20 0.69
RET P07949 4/20 0.69
FGFR1 P11362 4/20 0.69
FLT1 P17948 4/20 0.69
RPS6KB1 P23443 4/20 0.69
AXL P30530 4/20 0.69
FLT3 P36888 4/20 0.69
FRK P42685 4/20 0.69
CSNK1A1 P48729 4/20 0.69
CSNK1D P48730 4/20 0.69
CLK2 P49760 4/20 0.69
BLK P51451 4/20 0.69
RPS6KA3 P51812 4/20 0.69

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
SCHEMBL3530946 0.89 KDR (1.00) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3532906 0.89 KDR (0.77) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3530439 0.88 KDR (1.00) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3531078 0.87 KDR (1.00) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3530438 0.85 KDR (0.81) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3531429 0.85 KDR (0.81) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3534864 0.85 KDR (1.00) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3527915 0.84 KDR (1.00) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3534352 0.84 KDR (1.00) KDRAURKAAURKBROCK2RPS6KA5
SCHEMBL3381755 0.83 KDR (0.68) KDRAURKAAURKBROCK2RPS6KA5

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-2373662-A2 THIENO[3,2-C]PYRIDINE DERIVATIVES AS KINASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER Abbott Laboratories (US) 2011-10-12 EP disclosed
WO-2010065825-A2 KINASE INHIBITORS WITH IMPROVED CYP SAFETY PROFILE ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed