SCHEMBL20003650

SCHEMBL20003650

O=CC1(C(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.47
MET P08581 11/20 0.45
KDR P35968 3/20 0.45
RET P07949 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT3 P36888 1/20 0.45
AXL P30530 2/20 0.43
MERTK Q12866 1/20 0.41

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
SCHEMBL18256931 0.85 MET (0.63) METKDRRETKITPDGFRA
SCHEMBL20003601 0.84 MET (0.60) BRAFMETKDRRETKIT
SCHEMBL30462276 0.79 BRAF (0.51) BRAFMETFLT3
SCHEMBL9909781 0.79 BRAF (0.51) BRAFMETFLT3
SCHEMBL15015146 0.75 MET (0.62) METKDRRETKITPDGFRA
SCHEMBL2931112 0.74 BRAF (0.79) BRAFKDR
SCHEMBL2931848 0.74 BRAF (0.46) BRAF
SCHEMBL23070949 0.73 BRAF (0.53) BRAF
SCHEMBL20003970 0.72 MET (0.49) BRAFMETKDRRETKIT
SCHEMBL18256933 0.72 MET (0.62) METKDRRETKITPDGFRA

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