SCHEMBL5813640

SCHEMBL5813640

COc1ccc(CNc2nc(-c3ccno3)nc3sc4c(c23)CCCC4)cc1Cl.Clc1nc(-c2ccno2)nc2sc3c(c12)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 13/20 0.44
PTGS2 P35354 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
KCNH2 Q12809 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL8205062 0.97 PRKCI (0.46) PRKCIPTGS2MAPTMEN1HTT
SCHEMBL5800559 0.89 PRKCI (0.48) PRKCIPTGS2MAPTMEN1HTT
SCHEMBL5799122 0.87 MAPT (0.48) PRKCIPTGS2MAPTMEN1HTT
SCHEMBL7514448 0.84 BCDIN3D (0.40)
SCHEMBL5814243 0.84 BCDIN3D (0.40) PRKCI
SCHEMBL7169369 0.84 KDM4E (0.51) PRKCIPTGS2MAPTSMN1; SMN2
SCHEMBL7171537 0.83 MAPT (0.50) PRKCIPTGS2MAPTMEN1HTT
SCHEMBL5778475 0.83 PRKCI (0.62) PRKCI
SCHEMBL5128434 0.82 BCDIN3D (0.42)
SCHEMBL5120646 0.82 BCDIN3D (0.42) 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