SCHEMBL17653229

SCHEMBL17653229

CCOc1nc(N(CCC(C)C)C(=O)OCc2ccccc2)nc2ccc(-c3cnco3)cc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 16/20 0.52
GPR119 Q8TDV5 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17653305 0.93 AAK1 (0.50) AAK1GPR119
SCHEMBL17653347 0.79 AAK1 (0.41) AAK1GPR119
SCHEMBL17653173 0.77 AAK1 (0.51) AAK1
SCHEMBL17653338 0.76 AAK1 (0.66) AAK1
SCHEMBL17653212 0.76 AAK1 (0.53) AAK1
SCHEMBL17653184 0.75 AAK1 (0.53) AAK1
SCHEMBL17653186 0.75 AAK1 (0.52) AAK1GPR119
SCHEMBL17653231 0.74 AAK1 (0.58) AAK1
SCHEMBL17653133 0.72 AAK1 (0.42) AAK1
SCHEMBL17653252 0.71 AAK1 (0.41) AAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed