SCHEMBL30498652

SCHEMBL30498652

COc1cc2c(O)ccnc2cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
PDGFRA P16234 2/20 0.46
PDGFRB P09619 1/20 0.46
FGFR2 P21802 2/20 0.44
RET P07949 2/20 0.43
KDR P35968 2/20 0.43
KIF5B P33176 1/20 0.43
GAK O14976 2/20 0.43
RIPK2 O43353 2/20 0.43
BMPR1B O00238 1/20 0.43
EPHB6 O15197 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
SRC P12931 1/20 0.43
EPHA1 P21709 1/20 0.43
EPHA8 P29322 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAP2K5 Q13163 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43

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
SCHEMBL23597420 1.00 EGFR (0.47) EGFRPDGFRAPDGFRBFGFR2RET
SCHEMBL28439891 0.93 EGFR (0.47) EGFRPDGFRAPDGFRBRETKDR
SCHEMBL29492471 0.91 PDGFRB (0.55) EGFRPDGFRAPDGFRBFGFR2GAK
SCHEMBL165285 0.91 PDGFRB (0.55) EGFRPDGFRAPDGFRBFGFR2GAK
SCHEMBL10296329 0.91 PDGFRB (0.55) EGFRPDGFRAPDGFRBFGFR2SRC
Hydrochloric Acid SCHEMBL4463414 0.89 PDGFRB (0.54) EGFRPDGFRAPDGFRBFGFR2GAK
SCHEMBL10026410 0.86 SRC (0.46) EGFRPDGFRAPDGFRBFGFR2RET
SCHEMBL20032547 0.86 SRC (0.46) EGFRPDGFRAPDGFRBFGFR2RET
SCHEMBL11985290 0.85 PDGFRB (0.43) EGFRPDGFRAPDGFRBFGFR2GAK
SCHEMBL14756275 0.85 EGFR (0.45) EGFRPDGFRAPDGFRBRETKDR

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-116444489-A Quinoline derivative, preparation method and application thereof 正大天晴药业集团股份有限公司 2023-07-18 CN disclosed