SCHEMBL13363753

SCHEMBL13363753

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(F)c2N)n1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.83

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
SCHEMBL12149333 0.91 PTK2 (1.00) PTK2
SCHEMBL12149342 0.90 PTK2 (1.00) PTK2
SCHEMBL12149277 0.88 PTK2 (1.00) PTK2
SCHEMBL1373737 0.88 PTK2 (0.90) PTK2
SCHEMBL12149198 0.87 PTK2 (1.00) PTK2
SCHEMBL12149332 0.87 PTK2 (1.00) PTK2
SCHEMBL12149200 0.86 PTK2 (1.00) PTK2
SCHEMBL15887567 0.86 PTK2 (0.87) PTK2
SCHEMBL13363754 0.86 PTK2 (0.81) PTK2
SCHEMBL15887558 0.86 PTK2 (0.85) PTK2

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-2010058030-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 — — WO disclosed
Send feedback