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SCHEMBL4473129

SCHEMBL4473129

COc1cc2c(Oc3ncc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3Cl)ccnc2cc1OCCCN1CCCCC1.COc1cc2nccc(Oc3ncc(NC(=O)CC(=O)Nc4ccc(F)cc4F)cc3Cl)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.59
▸ FLT1 P17948 2/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ MET P08581 17/20 0.58
▸ KIT P10721 3/20 0.56
▸ FLT3 P36888 3/20 0.56
▸ PDGFRA P16234 2/20 0.56
▸ MST1R Q04912 2/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ AXL P30530 2/20 0.56
▸ EGFR P00533 1/20 0.55

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
SCHEMBL371858 0.95 MET (0.61) KDRFLT1FLT4METKIT
SCHEMBL371876 0.88 MET (0.69) KDRFLT1FLT4METKIT
SCHEMBL12443897 0.87 MET (0.60) KDRFLT1FLT4METKIT
SCHEMBL371678 0.87 KDR (0.69) KDRFLT1METKITPDGFRA
SCHEMBL371549 0.83 AXL (0.67) KDRFLT1FLT4METKIT
SCHEMBL20525687 0.81 MET (0.47) KDRFLT1METKITFLT3
SCHEMBL19711782 0.81 MET (0.64) KDRFLT1FLT4METKIT
SCHEMBL13787515 0.80 PDGFRA (0.66) KDRFLT1FLT4METKIT
SCHEMBL371718 0.80 AXL (0.57) KDRFLT1FLT4METKIT
SCHEMBL1879587 0.80 KDR (0.84) KDRMETKITPDGFRAAXL

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed