SCHEMBL18949815

SCHEMBL18949815

CNC(=O)c1c(Oc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)cccc1SC

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.77

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
SCHEMBL18949856 0.90 PTK2 (0.72) PTK2
SCHEMBL23939938 0.90 PTK2 (0.79) PTK2
SCHEMBL18949816 0.89 PTK2 (0.72) PTK2
SCHEMBL12149307 0.87 PTK2 (1.00) PTK2
SCHEMBL12149333 0.86 PTK2 (1.00) PTK2
SCHEMBL15887567 0.86 PTK2 (0.87) PTK2
SCHEMBL12149330 0.86 PTK2 (1.00) PTK2
SCHEMBL12149277 0.85 PTK2 (1.00) PTK2
SCHEMBL1373737 0.84 PTK2 (0.90) PTK2
SCHEMBL12149219 0.84 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
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 — — US disclosed
Send feedback