SCHEMBL5779717

SCHEMBL5779717

c1cnc(-c2nc(NCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)cn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 14/20 0.46
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5779238 0.95 PRKCI (0.46) PRKCIHTTMAPTNPSR1MEN1
SCHEMBL5780344 0.92 PRKCI (0.49) PRKCIHTTMAPTSMN1; SMN2KDM4E
SCHEMBL5778467 0.89 MEN1 (0.52) PRKCIPTPN12PTPN22HTTMAPT
SCHEMBL5776031 0.86 MAPT (0.61) PRKCIHTTMAPTNPSR1MEN1
SCHEMBL7408485 0.86 PRKCI (0.62) PRKCI
SCHEMBL8205517 0.85 PRKCI (0.48) PRKCIHTTMAPTNPSR1MEN1
SCHEMBL5781203 0.85 PRKCI (0.55) PRKCIHTTMAPTNPSR1MEN1
SCHEMBL5780486 0.85 PDE5A (0.59) PRKCIHTTMAPTNPSR1MEN1
SCHEMBL5120075 0.84 MAPT (0.45) PRKCIMAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL5781173 0.83 MEN1 (0.52) PRKCIHTTMAPTNPSR1MEN1

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 5 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
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US 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