SCHEMBL28864673

SCHEMBL28864673

CC(N)c1ccc2ncc(-c3ccc(F)cc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.52
PDGFRA P16234 2/20 0.52
MET P08581 3/20 0.50
TNIK Q9UKE5 3/20 0.50
PIK3CD O00329 3/20 0.41
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
EGFR P00533 1/20 0.40
ATM Q13315 2/20 0.40
CLK1 P49759 3/20 0.40
DYRK1A Q13627 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL29870157 1.00 PDGFRB (0.52) PDGFRBPDGFRAMETTNIKPIK3CD
SCHEMBL27988662 0.80 PDGFRB (0.44) PDGFRBPDGFRAMETTNIKPIK3CD
SCHEMBL28687573 0.77 MET (0.58) MET
SCHEMBL29870068 0.77 MET (0.58) MET
SCHEMBL29870024 0.76 EGFR (0.48) PDGFRBPDGFRAMETTNIKPIK3CA
SCHEMBL15686689 0.73 PDGFRB (0.40) PDGFRBPDGFRAMETTNIK
SCHEMBL29377660 0.73 PDGFRB (0.53) PDGFRBPDGFRAMETPIK3CDPIK3CA
SCHEMBL30998838 0.72 CYP1A2 (0.46)
Hydrochloric Acid SCHEMBL30939459 0.72 ADRB2 (0.48) EGFR
Hydrochloric Acid SCHEMBL29227874 0.72 ADRB2 (0.48) EGFR

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-107312009-B Quinoline compound, preparation method, intermediate, pharmaceutical composition and application thereof 上海医药集团股份有限公司 2022-09-20 CN disclosed