SCHEMBL17039981

SCHEMBL17039981

COc1cc(C(C)N)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccccc2CC(N)=O)n1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 19/20 0.71
▸ FLT4 P35916 9/20 0.71

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
SCHEMBL15588322 0.85 FLT4 (0.73) PTK2FLT4
SCHEMBL15524679 0.85 FLT4 (0.73) PTK2FLT4
SCHEMBL12478568 0.83 PTK2 (1.00) PTK2FLT4
SCHEMBL12479250 0.82 PTK2 (1.00) PTK2FLT4
Narmafotinib SCHEMBL12479576 0.82 PTK2 (1.00) PTK2FLT4
Narmafotinib SCHEMBL30354504 0.82 PTK2 (1.00) PTK2FLT4
SCHEMBL12479561 0.81 PTK2 (0.84) PTK2FLT4
SCHEMBL12479598 0.81 PTK2 (0.87) PTK2FLT4
SCHEMBL14635961 0.81 PTK2 (1.00) PTK2FLT4
SCHEMBL14635753 0.79 PTK2 (0.80) PTK2FLT4

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-2015123722-A1 INHIBITORS BIONOMICS LIMITED (AU) 2015-08-27 — — WO disclosed
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