SCHEMBL28284359

SCHEMBL28284359

Clc1cnn(CC2CCOC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
MAPK1 P28482 3/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
CDK1 P06493 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK1G2 P78368 1/20 0.37
CDK5 Q00535 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
PRKG1 Q13976 1/20 0.37

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
SCHEMBL21285243 0.81 SCD (0.46) SCDIKBKETBK1MAPK1CDC7
SCHEMBL21227392 0.81 SCD (0.46) SCDIKBKETBK1MAPK1CDC7
SCHEMBL14764016 0.81 SCD (0.43) SCDIKBKETBK1MAPK1CDC7
SCHEMBL20688671 0.81 SCD (0.43) SCDIKBKETBK1MAPK1CDC7
SCHEMBL31313350 0.81 SCD (0.43) SCDIKBKETBK1MAPK1CDC7
SCHEMBL21258387 0.81 SCD (0.46) SCDIKBKETBK1MAPK1CDC7
SCHEMBL20696927 0.79 SCD (0.42) SCDIKBKETBK1MAPK1CDC7
SCHEMBL20696929 0.79 SCD (0.42) SCDIKBKETBK1MAPK1CDC7
SCHEMBL21245975 0.79 SCD (0.42) SCDIKBKETBK1MAPK1CDC7
SCHEMBL20696932 0.79 SCD (0.42) SCDIKBKETBK1MAPK1CDC7

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-106029672-B serine/threonine kinase inhibitors 基因泰克公司 2019-03-29 CN disclosed