SCHEMBL14015083

SCHEMBL14015083

COc1cccc(-c2ccc(-c3[nH]c4cc(C(=O)O)nn4c(=O)c3C3CCCCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.47
NSD1 Q96L73 1/20 0.47
NSD3 Q9BZ95 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
HPSE Q9Y251 1/20 0.47
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
DHODH Q02127 4/20 0.40
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JMJD7 P0C870 1/20 0.37
NR4A1 P22736 1/20 0.37

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
SCHEMBL14015043 0.91 NSD2 (0.46) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL14542088 0.91 NSD2 (0.38) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL14015035 0.91 ALDH1A1 (0.43) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL4707770 0.89 DHODH (0.41) DHODHPLAT
SCHEMBL14015087 0.89 PLAT (0.43) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL14015048 0.88 NSD2 (0.43) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL14257367 0.87 PLAT (0.39) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL14015051 0.86 PLAT (0.40) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL14015088 0.85 PIK3CA (0.39) NSD2NSD1NSD3LPAR5HPSE
SCHEMBL14015091 0.85 LMNA (0.39) NSD2NSD1NSD3LPAR5HPSE

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
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed