SCHEMBL7879527

SCHEMBL7879527

CC(C)Nc1cc(N2C(C)COCC2CO)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 6/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 2/20 0.32
PTGS2 P35354 2/20 0.32
AVPR1B P47901 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL628471 0.82 HRH4 (0.38) MTORHRH4MEN1KMT2APIK3CA
SCHEMBL628448 0.81 PIK3CA (0.42) MTORHRH4MEN1KMT2APIK3CA
SCHEMBL629971 0.70 MTOR (0.47) MTORHRH4MEN1KMT2APIK3CA
SCHEMBL628773 0.68 KMT2A (0.48) MTORMEN1KMT2APIK3CAMAPT
SCHEMBL627955 0.67 MEN1 (0.47) MTORMEN1KMT2APIK3CAMAPT
SCHEMBL628294 0.67 PIK3CA (0.52) MTORPIK3CAPIK3CD
SCHEMBL628540 0.66 PIK3CA (0.62) MTORPIK3CA
SCHEMBL629250 0.65 PIK3CA (0.57) MTORPIK3CAPIK3CD
SCHEMBL628025 0.65 PIK3CA (0.66) MTORPIK3CA
SCHEMBL628076 0.65 PIK3CA (0.69) MTORPIK3CA

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-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed