SCHEMBL28111872

SCHEMBL28111872

COc1cccc(CN2C(=O)CNn3nc(-c4ccc(O)cc4)cc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD74 P04233 3/20 0.52
MIF P14174 3/20 0.52
MTOR P42345 1/20 0.49
CMA1 P23946 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
ROCK2 O75116 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
AADAT Q8N5Z0 1/20 0.38

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 0.75 MTOR (0.58) CD74MIFMTORCMA1MEN1
SCHEMBL29522354 0.75 MTOR (0.58) CD74MIFMTORCMA1MEN1
SCHEMBL25055361 0.69 CD74 (1.00) CD74MIFMTORMEN1KMT2A
SCHEMBL29522322 0.65 MTOR (0.58) CD74MIFMTORMEN1KMT2A
SCHEMBL136928 0.65 MTOR (0.58) CD74MIFMTORMEN1KMT2A
SCHEMBL20017654 0.65 MTOR (0.47) MTORCMA1MEN1KMT2AALDH1A1
SCHEMBL8115518 0.65 CMA1 (0.79) CMA1MEN1KMT2ATP53L3MBTL1
SCHEMBL16182645 0.65 CD74 (0.44) CD74MIFMTORCMA1MEN1
SCHEMBL9056105 0.64 CD74 (0.53) CD74MIFCMA1MEN1KMT2A
SCHEMBL6394855 0.64 CMA1 (0.58) CD74MIFCMA1MEN1KMT2A

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
CN-106117213-A Heteroaryl compound and synthesis thereof and purification process 西格诺药品有限公司 2016-11-16 CN claimed