SCHEMBL20003636

SCHEMBL20003636

C=C/C(=C\N(C)C)c1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(C)cc5)CC4)cc3F)c2cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.56
AXL P30530 7/20 0.56
KDR P35968 7/20 0.56
MERTK Q12866 4/20 0.54
RET P07949 4/20 0.48
KIT P10721 4/20 0.48
FLT3 P36888 4/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PDGFRB P09619 2/20 0.48
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
PDGFRA P16234 2/20 0.47
FLT1 P17948 3/20 0.46
AURKB Q96GD4 3/20 0.46
AURKA O14965 2/20 0.46
RIPK2 O43353 2/20 0.46
ABL1 P00519 2/20 0.46
EGFR P00533 2/20 0.46

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
SCHEMBL20003880 0.91 MET (0.58) METAXLKDRMERTKRET
SCHEMBL20003754 0.90 MET (0.59) METAXLKDRMERTKRET
SCHEMBL20003626 0.86 MET (0.56) METAXLKDRMERTKRET
SCHEMBL20003858 0.83 MET (0.62) METAXLKDRMERTKRET
SCHEMBL20003965 0.83 MET (0.59) METAXLKDRMERTKRET
SCHEMBL20003725 0.83 MET (0.55) METAXLKDRMERTKRET
SCHEMBL20003729 0.81 MET (0.57) METAXLKDRMERTKRET
SCHEMBL20003752 0.80 MET (0.55) METAXLKDRMERTKRET
SCHEMBL19373358 0.79 MET (0.88) METAXLKDRMERTKRET
SCHEMBL18256890 0.78 MET (0.72) 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