SCHEMBL20003922

SCHEMBL20003922

C=C/C(=C\NC)c1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(C)cc5)c4=O)cc3F)c2cn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.56
RIPK3 Q9Y572 4/20 0.56
RIPK1 Q13546 3/20 0.56
LCK P06239 1/20 0.56
KIT P10721 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
AXL P30530 4/20 0.52
TYRO3 Q06418 2/20 0.52
MERTK Q12866 2/20 0.52
RIPK2 O43353 2/20 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
SCHEMBL20003880 0.80 MET (0.58) METRIPK3RIPK1LCKKIT
SCHEMBL2479034 0.77 MET (0.79) METRIPK3RIPK1LCKKIT
SCHEMBL18256853 0.76 MET (0.63) METRIPK3RIPK1LCKKIT
SCHEMBL22643706 0.76 MET (0.57) METKITKDRFLT3AXL
SCHEMBL13349061 0.76 MET (0.69) METRIPK3RIPK1LCKKIT
SCHEMBL3535935 0.75 MET (0.71) METRIPK3RIPK1LCKKIT
SCHEMBL13314728 0.75 MET (0.69) METRIPK3RIPK1LCKKIT
SCHEMBL23882436 0.74 MET (0.71) METRIPK3RIPK1LCKKIT
SCHEMBL4814497 0.74 MET (0.77) METRIPK3RIPK1LCKKIT
SCHEMBL30227666 0.74 MET (0.71) METRIPK3RIPK1LCKKIT

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