SCHEMBL13355008

SCHEMBL13355008

COc1cc(CC(O)CO)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 1.00

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
SCHEMBL12135044 1.00 PTK2 (1.00) PTK2
SCHEMBL12135043 1.00 PTK2 (1.00) PTK2
SCHEMBL19918880 0.90 PTK2 (0.82) PTK2
SCHEMBL19918832 0.89 PTK2 (0.80) PTK2
SCHEMBL19918926 0.88 PTK2 (0.82) PTK2
SCHEMBL12135032 0.87 PTK2 (1.00) PTK2
SCHEMBL23939871 0.86 PTK2 (0.76) PTK2
SCHEMBL23939873 0.86 PTK2 (0.76) PTK2
SCHEMBL13355079 0.86 PTK2 (0.76) PTK2
SCHEMBL13355078 0.86 PTK2 (0.76) 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-2010058032-A2 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 — — WO disclosed
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