SCHEMBL5015571

SCHEMBL5015571

CC(C)(C)OC(=O)c1ccc(-c2csc3c(Br)cnc(N)c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.50
BTK Q06187 6/20 0.46
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDR P35968 9/20 0.41
AURKB Q96GD4 7/20 0.41
PLK4 O00444 3/20 0.41
AURKA O14965 3/20 0.41
ROCK2 O75116 3/20 0.41
MAP4K4 O95819 3/20 0.41
ABL1 P00519 3/20 0.41
NTRK1 P04629 3/20 0.41
INSR P06213 3/20 0.41
FYN P06241 3/20 0.41
CSF1R P07333 3/20 0.41
LYN P07948 3/20 0.41

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
SCHEMBL3527042 0.84 KDR (0.49) EPHB4BTKKDRAURKBPLK4
SCHEMBL3531001 0.77 EPHB4 (0.64) EPHB4BTKKDRAURKBPLK4
SCHEMBL3532343 0.72 KDR (0.49) BTKKDRAURKBPLK4AURKA
SCHEMBL3528947 0.71 KDR (0.64) BTKKDRAURKBPLK4AURKA
SCHEMBL3529496 0.69 KDR (0.79) BTKKDRAURKBPLK4AURKA
SCHEMBL6422862 0.69 BTK (0.50) BTKKDRAURKBPLK4AURKA
SCHEMBL27640624 0.69 BTK (0.50) BTKKDRAURKBPLK4AURKA
SCHEMBL3535652 0.69 KDR (0.50) EPHB4BTKKDRAURKBPLK4
SCHEMBL3530154 0.69 KDR (0.52) EPHB4BTKKDRAURKBPLK4
SCHEMBL6422548 0.68 KDR (0.55) BTKKDRAURKBPLK4AURKA

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
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed