SCHEMBL7516123

SCHEMBL7516123

Cc1sc2nc(-c3ccno3)nc(Cl)c2c1Cl.Cc1sc2nc(-c3ccno3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
CLK4 Q9HAZ1 6/20 0.32
GAA P10253 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHRM4 P08173 2/20 0.32
PRKCI P41743 3/20 0.32
DYRK1A Q13627 3/20 0.31
CLK1 P49759 2/20 0.31
CLK2 P49760 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.30
PTGS2 P35354 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL5128249 0.96 USP1 (0.36) USP1WDR48CLK4GAARXFP1
SCHEMBL5809508 0.91 GAA (0.40) USP1WDR48CLK4GAARXFP1
SCHEMBL7514448 0.91 BCDIN3D (0.40) CHRM4
SCHEMBL5814655 0.89 CHRM4 (0.40) USP1WDR48CLK4CHRM4DYRK1A
SCHEMBL5130870 0.89 GAA (0.42) USP1WDR48CLK4GAARXFP1
SCHEMBL5812974 0.88 CHRM4 (0.40) CLK4GAACHRM4DYRK1ALMNA
SCHEMBL5128434 0.86 BCDIN3D (0.42) CHRM4
SCHEMBL5126310 0.86 CHRM4 (0.41) GAARXFP1CHRM4PRKCIHPGD
SCHEMBL5124136 0.85 CHRM4 (0.42) CLK4CHRM4DYRK1ACLK1CLK2
SCHEMBL5809171 0.84 PRKCI (0.48) PRKCI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed