SCHEMBL4715482

SCHEMBL4715482

COc1ccc2c(OC(C(N)=O)c3ccccc3)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.53
KDR P35968 5/20 0.53
AURKA O14965 4/20 0.53
TEK Q02763 4/20 0.53
AURKB Q96GD4 2/20 0.53
F9 P00740 3/20 0.46
F10 P00742 3/20 0.46
PLAU P00749 3/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ACACA Q13085 1/20 0.45
PDGFRA P16234 2/20 0.45
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABL1 P00519 1/20 0.42
LCK P06239 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
SCHEMBL12762533 0.75 HTR1A (0.52) METKDRAURKATEKAURKB
SCHEMBL8145365 0.74 HTR1A (0.61) METKDRAURKATEKAURKB
SCHEMBL25466495 0.73 FGFR2 (0.60) METKDRAURKATEKAURKB
SCHEMBL2700581 0.73 MET (0.54) METKDRAURKATEKAURKB
SCHEMBL29878429 0.73 MET (0.54) METKDRAURKATEKAURKB
SCHEMBL3839042 0.73 HTR1A (0.51) METKDRAURKATEKAURKB
SCHEMBL8104478 0.73 KMT2A (0.57) F9F10PLAUCYP3A4NPSR1
SCHEMBL25678872 0.72 KDR (0.67) METKDRAURKATEKAURKB
SCHEMBL28771093 0.72 MET (0.54) METKDRAURKATEKAURKB
SCHEMBL24009229 0.71 MET (0.45) METKDRAURKATEKAURKB

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
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed