SCHEMBL6205595

SCHEMBL6205595

COc1cccc(-n2nc(C(C)C)c(C#N)c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RIPK2 O43353 1/20 0.45
RXFP1 Q9HBX9 2/20 0.43
GAA P10253 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
USP7 Q93009 1/20 0.40
PIK3CD O00329 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL8553062 0.83 GAA (0.61) MAPTSMN1; SMN2LMNARAB9AMEN1
SCHEMBL6203873 0.80 GAA (0.70) HTTMAPTSMN1; SMN2LMNARAB9A
SCHEMBL6205515 0.78 GAA (0.56) HTTMAPTSMN1; SMN2LMNARAB9A
SCHEMBL1179221 0.74 GABRP (0.43) HTTMAPTSMN1; SMN2LMNAMEN1
SCHEMBL4054606 0.72 LMNA (0.48) HTTMAPTSMN1; SMN2LMNARAB9A
SCHEMBL1682478 0.72 LMNA (0.55) HTTMAPTSMN1; SMN2LMNARAB9A
SCHEMBL544885 0.71 KMT2A (0.71) HTTMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL30120645 0.71 KMT2A (0.71) HTTMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL12335151 0.71 SMN1; SMN2 (0.54) HTTMAPTSMN1; SMN2LMNARAB9A
SCHEMBL1803890 0.71 SMN1; SMN2 (0.54) HTTMAPTSMN1; SMN2LMNARAB9A

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