SCHEMBL27640641

SCHEMBL27640641

COC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(CN)c4)cc3)csc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.64
AURKB Q96GD4 11/20 0.64
AURKA O14965 10/20 0.63
LCK P06239 9/20 0.63
FYN P06241 9/20 0.63
CSF1R P07333 9/20 0.63
MET P08581 9/20 0.63
FGFR1 P11362 9/20 0.63
ROCK1 Q13464 9/20 0.63
BLK P51451 8/20 0.63
STK3 Q13188 8/20 0.63
ABL1 P00519 8/20 0.63
NTRK1 P04629 8/20 0.63
NTRK2 Q16620 8/20 0.63
NEK2 P51955 7/20 0.63
ROCK2 O75116 6/20 0.63
LYN P07948 6/20 0.63
KIT P10721 6/20 0.63
MARK3 P27448 6/20 0.63
MARK2 Q7KZI7 6/20 0.63

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
SCHEMBL27640540 0.90 KDR (0.64) KDRAURKBAURKALCKFYN
SCHEMBL27661139 0.90 KDR (0.64) KDRAURKBAURKALCKFYN
SCHEMBL3526143 0.89 KDR (0.80) KDRAURKBAURKALCKFYN
SCHEMBL14633521 0.88 AURKA (0.77) KDRAURKBAURKALCKFYN
SCHEMBL27661226 0.86 KDR (0.69) KDRAURKBAURKALCKFYN
SCHEMBL28757954 0.84 KDR (0.68) KDRAURKBAURKALCKFYN
SCHEMBL27640549 0.83 KDR (0.68) KDRAURKBAURKALCKFYN
SCHEMBL27661160 0.83 KDR (0.66) KDRAURKBAURKALCKFYN
SCHEMBL27904959 0.83 AURKA (0.65) KDRAURKBAURKALCKFYN
SCHEMBL27640630 0.83 KDR (0.71) KDRAURKBAURKALCKFYN

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