SCHEMBL13734720

SCHEMBL13734720

c1cc(-c2ccsc2)n(-c2ccc(N3CCSCC3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
AR P10275 1/20 0.36
NR3C2 P08235 5/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
LGMN Q99538 2/20 0.35
PTGS2 P35354 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
DGAT1 O75907 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL13735487 0.88 AR (0.49) HRH4ARALDH1A1MAPTPTGS2
SCHEMBL13734967 0.86 HRH4 (0.53) HRH4NR3C2ALDH1A1MAPTMAPKAPK2
SCHEMBL13734142 0.82 HRH4 (0.41) HRH4ARNR3C2ALDH1A1MAPK9
SCHEMBL13735901 0.77 ALDH1A1 (0.43) ALDH1A1MAPTLGMN
SCHEMBL13734536 0.76 DGAT1 (0.55) NR3C2ALDH1A1MAPTPTGS2DGAT1
SCHEMBL13734494 0.75 NR3C2 (0.38) HRH4NR3C2ALDH1A1MAPTMAPK9
SCHEMBL13734946 0.73 FYN (0.53) HRH4ALDH1A1MAPTMAPKAPK2
SCHEMBL13734778 0.71 CHKA (0.56) NR3C2MAPK9MAPK10PTGS2DGAT1
SCHEMBL13734515 0.70 MELK (0.57) HRH4ALDH1A1MAPTMAPK9MAPK10
SCHEMBL13734685 0.70 MAPK9 (0.54) ARALDH1A1MAPTMAPK9MAPK10

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-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed