SCHEMBL6203873

SCHEMBL6203873

CCc1nn(-c2cccc(OC)c2)c(N)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
MAPT P10636 8/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RIPK2 O43353 1/20 0.45
DHFR P00374 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 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
SCHEMBL6205515 0.90 GAA (0.56) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL11899876 0.86 GAA (0.71) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL13860443 0.83 GAA (1.00) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL6205595 0.80 HTT (0.46) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL5087427 0.76 GAA (0.64) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL1802850 0.75 RIPK2 (0.52) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL23116890 0.73 MAPT (0.50) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL1682478 0.72 LMNA (0.55) GAAMAPTLMNAALDH1A1HTT
SCHEMBL544885 0.71 KMT2A (0.71) MAPTKDM4EALDH1A1HTTMEN1
SCHEMBL30120645 0.71 KMT2A (0.71) MAPTKDM4EALDH1A1HTTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed