SCHEMBL28694985

SCHEMBL28694985

COc1cc2c(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3)ccnc2cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.62
AXL P30530 11/20 0.58
MERTK Q12866 4/20 0.58
FLT1 P17948 3/20 0.58
AURKB Q96GD4 3/20 0.58
KDR P35968 2/20 0.58
AURKA O14965 1/20 0.58
RIPK2 O43353 1/20 0.58
ABCB11 O95342 1/20 0.58
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
NTRK1 P04629 1/20 0.58
LCK P06239 1/20 0.58
PGR P06401 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58
CHRM2 P08172 1/20 0.58
HCK P08631 1/20 0.58
ADRA2A P08913 1/20 0.58

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
SCHEMBL31105630 0.97 MET (0.67) METAXLMERTKFLT1AURKB
SCHEMBL372017 0.94 MET (0.66) METAXLMERTKFLT1AURKB
SCHEMBL29883010 0.94 MET (0.66) METAXLMERTKFLT1AURKB
SCHEMBL374207 0.91 AXL (0.55) METAXLMERTKFLT1AURKB
SCHEMBL29453833 0.91 AXL (0.57) METAXLMERTKFLT1AURKB
SCHEMBL22750248 0.91 AXL (0.57) METAXLMERTKFLT1AURKB
Pyruvate SCHEMBL29195420 0.90 MET (0.61) METAXLMERTKFLT1AURKB
SCHEMBL21200899 0.90 AXL (0.58) METAXLMERTKFLT1AURKB
SCHEMBL21201003 0.89 AXL (0.57) METAXLMERTKFLT1AURKB
Glutarate SCHEMBL29195414 0.88 MET (0.58) METAXLMERTKFLT1AURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113924288-B Quinolinyl-containing compound, pharmaceutical composition and application thereof 北京普祺医药科技股份有限公司 2024-04-05 CN disclosed
CN-113924288-A Quinolyl-containing compound, pharmaceutical composition and application thereof 北京普祺医药科技有限公司 2022-01-11 CN disclosed