SCHEMBL13355061

SCHEMBL13355061

COc1cc(C(=O)N[C@@H]2CCN(C)CC2OC)ccc1Nc1ncc(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
SCHEMBL13354989 0.94 PTK2 (0.81) PTK2
SCHEMBL13354984 0.94 PTK2 (0.81) PTK2
SCHEMBL13355006 0.92 PTK2 (0.81) PTK2
SCHEMBL13355004 0.92 PTK2 (0.81) PTK2
SCHEMBL13354994 0.90 PTK2 (0.81) PTK2
SCHEMBL13355049 0.90 PTK2 (0.81) PTK2
SCHEMBL13355048 0.90 PTK2 (0.81) PTK2
SCHEMBL12135680 0.89 PTK2 (1.00) PTK2
SCHEMBL18949902 0.89 PTK2 (1.00) PTK2
SCHEMBL12135670 0.89 PTK2 (1.00) 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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