SCHEMBL16371069

SCHEMBL16371069

CC(=O)Nc1cc(-c2ccc(NC(=O)O)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 16/20 0.59
CNR1 P21554 1/20 0.54
AAK1 Q2M2I8 1/20 0.52
PIP5K1C O60331 1/20 0.52
PIK3CA P42336 1/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5542919 0.84 PIK3C3 (0.57) PIK3C3AAK1PIP5K1CPIK3CA
SCHEMBL4407128 0.83 PIK3C3 (0.62) PIK3C3
SCHEMBL16371459 0.82 PIK3C3 (0.59) PIK3C3AAK1
SCHEMBL28861346 0.81 CYP17A1 (0.55) PIK3C3AAK1
SCHEMBL1518824 0.79 PIP5K1C (0.68) PIK3C3PIP5K1CPIK3CA
SCHEMBL6790193 0.79 PIK3C3 (0.56) PIK3C3AAK1
SCHEMBL17872892 0.78 EGFR (0.69) PIK3C3CNR1PIP5K1CPIK3CA
SCHEMBL16371957 0.78 CIT (0.73) AAK1
SCHEMBL16371961 0.78 CIT (0.73) AAK1
SCHEMBL6526162 0.77 CNR1 (0.51) CNR1

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-3019475-A1 ARYL AMIDE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed