SCHEMBL20003629

SCHEMBL20003629

CCCN(CCC)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(C)cc6)CC5)cc4F)c3cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.56
KDR P35968 9/20 0.56
AXL P30530 6/20 0.56
MERTK Q12866 3/20 0.53
KIT P10721 4/20 0.49
FLT3 P36888 4/20 0.49
RET P07949 3/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
PDGFRB P09619 2/20 0.49
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
NTRK1 P04629 2/20 0.47
NTRK2 Q16620 2/20 0.47
PDGFRA P16234 2/20 0.47
FLT1 P17948 2/20 0.47
AURKB Q96GD4 2/20 0.47
PLK4 O00444 1/20 0.47
STK25 O00506 1/20 0.47

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
SCHEMBL20003919 0.86 MET (0.60) METKDRAXLMERTKKIT
SCHEMBL22643663 0.85 MET (0.59) METKDRAXLMERTKKIT
SCHEMBL18256838 0.81 MET (0.69) METKDRAXLMERTKKIT
SCHEMBL22643590 0.81 MET (0.56) METKDRAXLMERTKKIT
SCHEMBL22643700 0.81 MET (0.54) METKDRAXLMERTKKIT
SCHEMBL18256837 0.81 MET (0.68) METKDRAXLMERTKKIT
SCHEMBL18256839 0.79 MET (0.68) METKDRAXLMERTKKIT
SCHEMBL18256840 0.79 MET (0.63) METKDRAXLMERTKKIT
SCHEMBL18256852 0.79 MET (0.65) METKDRAXLMERTKKIT
SCHEMBL18256845 0.78 MET (0.66) METKDRAXLMERTKKIT

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