SCHEMBL6205515

SCHEMBL6205515

CCCc1nn(-c2cccc(OC)c2)c(N)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAPT P10636 7/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 6/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
RIPK2 O43353 1/20 0.43
GLA P06280 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GSK3B P49841 1/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 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
SCHEMBL6203873 0.90 GAA (0.70) GAAMAPTLMNAHTTALDH1A1
SCHEMBL6205595 0.78 HTT (0.46) GAAMAPTLMNAHTTALDH1A1
SCHEMBL11899876 0.76 GAA (0.71) GAAMAPTLMNAHTTALDH1A1
SCHEMBL8554372 0.76 GAA (0.75) GAAMAPTLMNAHTTALDH1A1
SCHEMBL1802850 0.73 RIPK2 (0.52) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL13860443 0.72 GAA (1.00) GAAMAPTLMNAHTTALDH1A1
SCHEMBL23116890 0.72 MAPT (0.50) GAAMAPTLMNAHTTALDH1A1
SCHEMBL8555328 0.70 GAA (0.69) GAAMAPTLMNAHTTALDH1A1
SCHEMBL1682478 0.70 LMNA (0.55) GAAMAPTLMNAHTTALDH1A1
SCHEMBL544885 0.69 KMT2A (0.71) MAPTHTTALDH1A1KDM4EKMT2A

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