SCHEMBL27640539

SCHEMBL27640539

CN(C)CC(=O)Nc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(CN)c5)cc4)csc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.68
ALK Q9UM73 5/20 0.68
KDR P35968 17/20 0.64
AURKB Q96GD4 12/20 0.64
PLK4 O00444 6/20 0.61
ROCK2 O75116 6/20 0.61
ABL1 P00519 6/20 0.61
NTRK1 P04629 6/20 0.61
LCK P06239 6/20 0.61
FYN P06241 6/20 0.61
CSF1R P07333 6/20 0.61
LYN P07948 6/20 0.61
MET P08581 6/20 0.61
FGFR1 P11362 6/20 0.61
FLT1 P17948 6/20 0.61
FLT3 P36888 6/20 0.61
BLK P51451 6/20 0.61
NEK2 P51955 6/20 0.61
LIMK1 P53667 6/20 0.61
STK3 Q13188 6/20 0.61

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
SCHEMBL27640629 0.98 AURKA (0.65) AURKAALKKDRAURKBPLK4
SCHEMBL27640589 0.92 AURKA (0.75) AURKAALKKDRAURKBPLK4
SCHEMBL27640532 0.91 AURKA (0.83) AURKAALKKDRAURKBPLK4
SCHEMBL3529971 0.90 AURKA (0.82) AURKAALKKDRAURKBPLK4
SCHEMBL27661173 0.90 AURKA (0.72) AURKAALKKDRAURKBPLK4
SCHEMBL27661226 0.89 KDR (0.69) AURKAALKKDRAURKBPLK4
SCHEMBL27640578 0.89 AURKA (0.80) AURKAALKKDRAURKBPLK4
SCHEMBL3534124 0.88 AURKA (0.79) AURKAALKKDRAURKBPLK4
SCHEMBL28757954 0.87 KDR (0.68) AURKAALKKDRAURKBPLK4
SCHEMBL27640549 0.86 KDR (0.68) AURKAALKKDRAURKBPLK4

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
CN-103087078-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB 2013-05-08 CN disclosed
CN-1856498-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB (US) 2006-11-01 CN disclosed