SCHEMBL28084504

SCHEMBL28084504

Nc1cnc(Cl)nc1Cl.[Ar]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 2/20 0.34
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PIN1 Q13526 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
CDK2 P24941 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
UHRF1 Q96T88 1/20 0.30
GAA P10253 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
SCHEMBL29676892 0.97
SCHEMBL558953 0.97
SCHEMBL109855 0.77
SCHEMBL7246171 0.77
Hydrochloric Acid SCHEMBL10869259 0.75 CSNK1A1 (0.52) CSNK1A1CLK4KDM4ETYRO3DYRK1B
SCHEMBL15021832 0.73
SCHEMBL3844557 0.73
SCHEMBL13261894 0.73
SCHEMBL1697670 0.73
SCHEMBL29334062 0.73

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-103703009-B Noval chemical compound as diacylglycerol acyltransferase inhibitors 葛兰素史密斯克莱知识产权(第2 号)有限公司 2016-08-17 CN disclosed