SCHEMBL29869997

SCHEMBL29869997

CC(c1ccc2ncc(-c3ccc(F)cc3)cc2c1)n1nnc2ncc(Br)nc21

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.74
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
CLK1 P49759 3/20 0.45
DYRK1A Q13627 1/20 0.44
ATM Q13315 2/20 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
SCHEMBL28864757 1.00 MET (0.74) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL29869833 0.85 MET (0.81) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL29869993 0.83 MET (1.00) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL2573883 0.79 MET (0.66) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL2571742 0.79 MET (0.66) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL2572032 0.79 MET (0.66) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL29869924 0.74 MET (1.00) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL29869981 0.72 MET (0.82) MET
SCHEMBL29870024 0.71 EGFR (0.48) MET
SCHEMBL28864673 0.71 PDGFRB (0.52) METCLK1DYRK1AATM

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