SCHEMBL29503516

SCHEMBL29503516

Clc1nccc2scc(Br)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.41
AURKA O14965 3/20 0.41
AURKB Q96GD4 3/20 0.41
EPHB4 P54760 1/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HIPK2 Q9H2X6 2/20 0.33
PLK4 O00444 2/20 0.32
ROCK2 O75116 2/20 0.32
RPS6KA5 O75582 2/20 0.32
MAP4K4 O95819 2/20 0.32
LCK P06239 2/20 0.32
CSF1R P07333 2/20 0.32
LYN P07948 2/20 0.32
RET P07949 2/20 0.32
KIT P10721 2/20 0.32
FGFR1 P11362 2/20 0.32
FLT1 P17948 2/20 0.32
RPS6KB1 P23443 2/20 0.32

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
SCHEMBL379508 1.00 KDR (0.41) KDRAURKAAURKBEPHB4MAPT
SCHEMBL4764241 0.79 KDR (0.40) KDRAURKAAURKBEPHB4PLK4
SCHEMBL18341971 0.79 KDR (0.40) KDRAURKAAURKBEPHB4PLK4
SCHEMBL13764546 0.78 KDR (0.40) KDRAURKAAURKBEPHB4MAPT
SCHEMBL868356 0.76 KDR (0.57) KDRAURKAAURKBEPHB4HIPK2
SCHEMBL30958677 0.76 KDR (0.38) KDRAURKAAURKBEPHB4SMN1; SMN2
SCHEMBL17176672 0.76 KDR (0.38) KDRAURKAAURKBEPHB4SMN1; SMN2
SCHEMBL29503401 0.76 KDR (0.57) KDRAURKAAURKBEPHB4HIPK2
SCHEMBL3785902 0.72 CSNK2A1 (0.37) KDRAURKAAURKBEPHB4SMN1; SMN2
SCHEMBL18341898 0.68

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
CN-109311894-B N- (substituted-phenyl) -sulfonamide derivatives as kinase inhibitors 内尔维阿诺医学科学有限公司 2022-03-22 CN disclosed