SCHEMBL20003727

SCHEMBL20003727

BN1CCN(c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(C)cc6)CC5)cc4F)c3cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.60
AXL P30530 7/20 0.60
KDR P35968 7/20 0.60
MERTK Q12866 3/20 0.57
RET P07949 3/20 0.52
KIT P10721 3/20 0.52
FLT3 P36888 3/20 0.52
PDGFRB P09619 2/20 0.52
PDGFRA P16234 2/20 0.52
FLT1 P17948 2/20 0.52
AURKB Q96GD4 2/20 0.52
PLK4 O00444 1/20 0.52
STK25 O00506 1/20 0.52
CIT O14578 1/20 0.52
AURKA O14965 1/20 0.52
CHUK O15111 1/20 0.52
MUSK O15146 1/20 0.52
EPHB6 O15197 1/20 0.52
MAPK13 O15264 1/20 0.52
MAP3K13 O43283 1/20 0.52

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
SCHEMBL20003724 0.91 MET (0.60) METAXLKDRMERTKRET
SCHEMBL20003970 0.87 MET (0.49) METAXLKDRMERTKRET
SCHEMBL18256865 0.86 MET (0.65) METAXLKDRMERTKRET
SCHEMBL18256925 0.83 MET (0.59) METAXLKDRMERTKRET
SCHEMBL19373358 0.81 MET (0.88) METAXLKDRMERTKRET
SCHEMBL20003919 0.81 MET (0.60) METAXLKDRMERTKRET
SCHEMBL18256959 0.81 MET (0.67) METAXLKDRMERTKRET
SCHEMBL24444555 0.81 MET (0.77) METAXLKDRMERTKRET
SCHEMBL20003858 0.80 MET (0.62) METAXLKDRMERTKRET
SCHEMBL18256892 0.80 AXL (0.79) METAXLKDRMERTKRET

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
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed