SCHEMBL13735487

SCHEMBL13735487

c1cc(-c2ccsc2)n(-c2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
PTGS2 P35354 2/20 0.45
PIK3CA P42336 3/20 0.44
PIK3CG P48736 2/20 0.44
MTOR P42345 1/20 0.44
PRKDC P78527 3/20 0.43
GAK O14976 1/20 0.42
PIK3CB P42338 2/20 0.40
PIK3CD O00329 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 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
SCHEMBL13734967 0.88 HRH4 (0.53) HRH4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13734720 0.88 HRH4 (0.39) ARPTGS2PIK3CAPIK3CGMTOR
SCHEMBL13734142 0.83 HRH4 (0.41) ARPTGS2HRH4ALDH1A1SMN1; SMN2
SCHEMBL13734685 0.82 MAPK9 (0.54) ARPTGS2PIK3CAALDH1A1SMN1; SMN2
SCHEMBL13736967 0.80 PTGS2 (0.60) ARPTGS2PRKDCALDH1A1SMN1; SMN2
SCHEMBL31025635 0.79 AR (0.55) ARPIK3CAPIK3CGMTORPRKDC
SCHEMBL13733749 0.77 PTGS2 (0.52) ARPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL13734652 0.76 NPC1 (0.56) PTGS2PIK3CAPIK3CGMTORPRKDC
SCHEMBL13734494 0.76 NR3C2 (0.38) HRH4ALDH1A1MEN1MAPTKMT2A
SCHEMBL13735472 0.74 DGAT1 (0.57) PTGS2PIK3CAPRKDCALDH1A1RAB9A

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