SCHEMBL28530822

SCHEMBL28530822

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3cc(Cl)ncn3)c(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.48
KDR P35968 5/20 0.39
RET P07949 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL28516905 0.88 MET (0.39) METCHRM4
SCHEMBL28529522 0.86 MET (0.49) METKDRRETKITPDGFRA
SCHEMBL28907382 0.86 MET (0.44) METKDRRETKITPDGFRA
SCHEMBL29728994 0.81 MET (0.45) METKDRRETKITPDGFRA
SCHEMBL19987751 0.81 MET (0.45) METKDRRETKITPDGFRA
SCHEMBL23754947 0.80 MET (0.39) METKDRRETKITPDGFRA
SCHEMBL30086269 0.80 MET (0.39) METKDRRETKITPDGFRA
SCHEMBL3555808 0.79 MET (0.54) METKDRRETKITPDGFRA
SCHEMBL1794164 0.79 TRPA1 (0.58) METKDR
SCHEMBL3556668 0.79 MET (0.52) 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
CN-107793363-B Substituted arylamino aromatic heterocyclic compound and application thereof as antitumor drug 上海医药工业研究院 2021-02-26 CN disclosed