SCHEMBL7871050

SCHEMBL7871050

COC(=O)c1ccc(-c2ccnc(C)c2-c2ccc(N)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.47
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
SLC2A1 P11166 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ROCK1 Q13464 1/20 0.41
SGK1 O00141 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
MAP3K11 Q16584 1/20 0.40

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
SCHEMBL7877513 0.86 GABRP (0.51) MTORMKNK1MKNK2KDM4EALDH1A1
SCHEMBL12773638 0.82 MTOR (0.67) MTORMKNK1MKNK2KDM4EALDH1A1
SCHEMBL7880673 0.82 MTOR (0.52) MTOR
SCHEMBL7883941 0.82 MTOR (0.50) MTORALOX5APFEN1
SCHEMBL12138107 0.81 MKNK1 (0.43) MTORALOX5APFEN1MKNK1MKNK2
SCHEMBL5543060 0.81 MKNK1 (0.65) ALOX5APFEN1MKNK1MKNK2KDM4E
SCHEMBL695584 0.81 MTOR (0.74) MTOR
SCHEMBL6894184 0.80 PIK3CA (0.48) MTORALOX5APFEN1MKNK1MKNK2
SCHEMBL12773444 0.78 MTOR (0.69) MTOR
SCHEMBL12773423 0.77 MTOR (0.71) MTORMKNK1MKNK2

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-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed