SCHEMBL21217949

SCHEMBL21217949

CNC(=O)c1cc2c(Oc3ccc(C)cc3)ccnc2cc1NC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.54
▸ PDGFRA P16234 10/20 0.54
▸ AXL P30530 5/20 0.53
▸ MET P08581 3/20 0.53
▸ AURKA O14965 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ TEK Q02763 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ MERTK Q12866 1/20 0.46
▸ KIT P10721 2/20 0.45
▸ MAPK9 P45984 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44

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
SCHEMBL26178850 0.88 AXL (0.62) KDRPDGFRAAXLMETAURKA
SCHEMBL21200981 0.80 AXL (0.81) KDRAXLMETAURKALCK
SCHEMBL12663554 0.80 AXL (0.60) KDRPDGFRAAXLMETAURKA
SCHEMBL22106609 0.79 AXL (0.70) KDRPDGFRAAXLMETAURKA
SCHEMBL1890635 0.76 AXL (0.65) KDRPDGFRAAXLMETAURKA
SCHEMBL29558136 0.76 AXL (0.65) KDRPDGFRAAXLMETAURKA
SCHEMBL12663553 0.76 KDR (0.59) KDRPDGFRAAXLMETAURKA
SCHEMBL12501921 0.75 AXL (0.62) KDRPDGFRAAXLMETAURKA
SCHEMBL12663608 0.73 AXL (0.54) KDRPDGFRAAXLMETAURKA
SCHEMBL2173553 0.73 AXL (0.63) KDRPDGFRAAXLMETAURKA

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
WO-2019148044-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2019-08-01 — — WO disclosed
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