SCHEMBL20003970

SCHEMBL20003970

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.49
KDR P35968 7/20 0.49
AXL P30530 6/20 0.49
MERTK Q12866 2/20 0.47
KIT P10721 4/20 0.45
FLT3 P36888 4/20 0.45
RET P07949 3/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
PLK4 O00444 1/20 0.45
STK25 O00506 1/20 0.45
CIT O14578 1/20 0.45
AURKA O14965 1/20 0.45
CHUK O15111 1/20 0.45
MUSK O15146 1/20 0.45
EPHB6 O15197 1/20 0.45
MAPK13 O15264 1/20 0.45
MAP3K13 O43283 1/20 0.45
DAPK3 O43293 1/20 0.45
MAP3K7 O43318 1/20 0.45

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
SCHEMBL20003727 0.87 MET (0.60) METKDRAXLMERTKKIT
SCHEMBL18256865 0.81 MET (0.65) METKDRAXLMERTKKIT
SCHEMBL20003724 0.80 MET (0.60) METKDRAXLMERTKKIT
SCHEMBL18256925 0.77 MET (0.59) METKDRAXLMERTKKIT
SCHEMBL18256959 0.76 MET (0.67) METKDRAXLMERTKKIT
SCHEMBL22521160 0.74 MET (0.65) METKDRAXLMERTKKIT
SCHEMBL22521169 0.74 MET (0.64) METKDRAXLMERTKKIT
SCHEMBL20003650 0.72 BRAF (0.47) METKDRAXLMERTKKIT
SCHEMBL24240709 0.72 MET (0.62) METKDRAXLMERTKKIT
SCHEMBL22521243 0.72 HDAC2 (0.65) 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