SCHEMBL5815092

SCHEMBL5815092

Cc1sc2nc(-c3ccncc3)nc(Cl)c2c1Cl.Cc1sc2nc(-c3ccncc3)nc(NCc3ccc4c(c3)OCCO4)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 14/20 0.43
CHRM4 P08173 2/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5115928 0.96 PRKCI (0.46) PRKCICHRM4MAPTGAANPSR1
SCHEMBL7513678 0.95 MAPT (0.44) PRKCICHRM4MAPTGAANPSR1
SCHEMBL5128775 0.91 MAPT (0.47) PRKCICHRM4MAPTGAANPSR1
SCHEMBL7171668 0.90 MAPT (0.51) CHRM4MAPTGAANPSR1DYRK1A
SCHEMBL7615852 0.88 PRKCI (0.49) PRKCI
SCHEMBL5809171 0.87 PRKCI (0.48) PRKCI
SCHEMBL5123014 0.87 PRKCI (0.58) PRKCICHRM4MAPTGAANPSR1
SCHEMBL5814433 0.87 CHRM4 (0.39) CHRM4MAPTNPSR1CLK1CLK2
SCHEMBL5814655 0.86 CHRM4 (0.40) CHRM4MAPTNPSR1CLK1CLK2
SCHEMBL5809738 0.86 PRKCI (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
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