SCHEMBL28297006

SCHEMBL28297006

c1cc(-c2ccc(N3CCOCC3)cc2)c2ncncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
TTK P33981 1/20 0.48
MAPK10 P53779 3/20 0.45
JUN P05412 2/20 0.45
MAPK8 P45983 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADK P55263 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FYN P06241 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL28298603 0.86 MET (0.48) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL28070394 0.83 TTK (0.52) CNR2TTKMAPK10JUNMAPK8
SCHEMBL28876921 0.79 HTR2A (0.43) KDM4EMAPTL3MBTL1NPC1GAA
SCHEMBL29248284 0.75 TNF (0.47) MAPK10KDM4EPIK3CA
SCHEMBL12970479 0.74 ADORA2A (0.43) MAPK10KDM4EMAPTNPC1GAA
SCHEMBL31038714 0.73 EGFR (0.44) MAPK10KDM4EMAPK1PIK3CA
SCHEMBL3074807 0.73 EGFR (0.50) MAPK10KDM4EMAPTGAASMN1; SMN2
SCHEMBL16513631 0.72 MAPK10 (0.79) TTKMAPK10JUNMAPK8
SCHEMBL29847439 0.72 MAPK10 (0.79) TTKMAPK10JUNMAPK8
SCHEMBL2368945 0.71 MAPT (0.53) CNR2MAPK10KDM4EMAPTL3MBTL1

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-109851617-A Chemical entities, composition and method 润新生物公司 2019-06-07 CN disclosed