SCHEMBL5780076

SCHEMBL5780076

Fc1ccc(CNc2nc(-n3cncn3)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PDE5A O76074 1/20 0.48
PRKCI P41743 8/20 0.47
FGFR1 P11362 1/20 0.44
PARP14 Q460N5 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
RAF1 P04049 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7126312 0.91 PDE5A (0.59) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL7129443 0.86 HTT (0.47) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5781158 0.85 MEN1 (0.53) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5777730 0.84 MAPT (0.47) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5782312 0.84 HTT (0.45) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5777372 0.84 PTPN12 (0.45) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5799775 0.83 MEN1 (0.53) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5781373 0.82 MAPT (0.45) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5118514 0.81 GAA (0.46) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL5778490 0.81 RNASEL (0.45) MEN1KMT2AMAPTHTTSMN1; SMN2

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
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed