SCHEMBL19956323

SCHEMBL19956323

COc1cccc(CN2c3nc(-c4ccc(O)cc4)cnc3NCC2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.54
CD74 P04233 2/20 0.52
MIF P14174 2/20 0.52
TNIK Q9UKE5 1/20 0.40
FYN P06241 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDH1 O75874 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PTK2B Q14289 1/20 0.37
AURKA O14965 1/20 0.36
GRK2 P25098 1/20 0.36
ROCK1 Q13464 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
NEK2 P51955 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL138490 0.80 MTOR (0.58) MTORCD74MIFTNIKFYN
SCHEMBL20892260 0.80 MTOR (0.54) MTORCD74MIFTNIKFYN
SCHEMBL29522354 0.80 MTOR (0.58) MTORCD74MIFTNIKFYN
SCHEMBL29522322 0.76 MTOR (0.58) MTORCD74MIFTNIKFYN
SCHEMBL136928 0.76 MTOR (0.58) MTORCD74MIFTNIKFYN
SCHEMBL20017654 0.71 MTOR (0.47) MTORTNIKFYNALDH1A1GAA
SCHEMBL25055361 0.69 CD74 (1.00) MTORCD74MIFL3MBTL1MEN1
SCHEMBL16432718 0.64 CD74 (0.50) MTORCD74MIFALDH1A1KDM4E
SCHEMBL28111872 0.62 CD74 (0.52) MTORCD74MIFL3MBTL1ALDH1A1
SCHEMBL482032 0.62 CMA1 (0.48) MTORL3MBTL1ALDH1A1KDM4EGAA

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
EP-2825171-B1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2018-03-14 EP disclosed