SCHEMBL28796987

SCHEMBL28796987

COc1ccc2c(Oc3ccc(Nc4c(NC5CC5)c(=O)c4=O)cc3)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 6/20 0.53
KDR P35968 6/20 0.52
AURKA O14965 3/20 0.52
MET P08581 3/20 0.52
TEK Q02763 3/20 0.52
PDGFRA P16234 7/20 0.46
KIT P10721 4/20 0.46
AURKB Q96GD4 2/20 0.43
AXL P30530 1/20 0.43
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
FGR P09769 1/20 0.42

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
SCHEMBL28501287 0.84 RET (0.60) FGFR2KDRAURKAMETTEK
SCHEMBL22435918 0.75 FGFR2 (0.62) FGFR2KDRAURKAMETTEK
SCHEMBL20782714 0.75 FGFR2 (0.51) FGFR2KDRAURKAMETTEK
SCHEMBL20775123 0.74 FGFR2 (0.57) FGFR2KDRAURKAMETTEK
SCHEMBL24028631 0.73 KDR (0.53) FGFR2KDRAURKAMETTEK
SCHEMBL19957133 0.72 FGFR4 (0.52) FGFR2KDRAURKAMETTEK
SCHEMBL20775124 0.72 FGFR2 (0.55) FGFR2KDRAURKAMETTEK
SCHEMBL25466495 0.71 FGFR2 (0.60) FGFR2KDRAURKAMETTEK
SCHEMBL22435917 0.71 KDR (0.57) FGFR2KDRAURKAMETTEK
SCHEMBL20782518 0.70 FGFR2 (0.53) FGFR2KDRAURKAMETTEK

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-111892536-B Substituted quinoline carboxamides and their use 北京福元医药股份有限公司 2022-06-28 CN disclosed