SCHEMBL13355074

SCHEMBL13355074

COc1cc(C(=O)NC2CCCN(C)C2)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)NC3)n1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.81

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
SCHEMBL13355092 1.00 PTK2 (0.81) PTK2
SCHEMBL13355091 0.93 PTK2 (0.81) PTK2
SCHEMBL12135468 0.89 PTK2 (1.00) PTK2
SCHEMBL12135465 0.89 PTK2 (1.00) PTK2
SCHEMBL12135467 0.89 PTK2 (1.00) PTK2
SCHEMBL13355006 0.89 PTK2 (0.81) PTK2
SCHEMBL13355004 0.89 PTK2 (0.81) PTK2
SCHEMBL12136923 0.86 PTK2 (0.78) PTK2
SCHEMBL23939894 0.85 PTK2 (0.76) PTK2
SCHEMBL13354992 0.84 PTK2 (0.82) 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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