SCHEMBL7106973

SCHEMBL7106973

O=S(=O)(Cl)c1ccc(Nc2nc(NC3CCC3)c3[nH]cnc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.68
ADORA1 P30542 5/20 0.68
ADORA2A P29274 4/20 0.68
AURKA O14965 2/20 0.61
JAK2 O60674 2/20 0.61
JAK3 P52333 2/20 0.61
AURKB Q96GD4 2/20 0.61
MEN1 O00255 1/20 0.61
JAK1 P23458 1/20 0.61
TYK2 P29597 1/20 0.61
TTK P33981 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
AURKC Q9UQB9 1/20 0.61
SYK P43405 2/20 0.57
TOP2A P11388 1/20 0.57
BTK Q06187 2/20 0.57
DAPK3 O43293 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56

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
SCHEMBL7104518 0.84 ADORA3 (0.93) ADORA3ADORA1ADORA2AAURKAJAK2
SCHEMBL7106970 0.84 SYK (0.50) ADORA3ADORA1ADORA2AAURKAJAK2
SCHEMBL31747057 0.79 ADORA3 (0.74) ADORA3ADORA1ADORA2AAURKAJAK2
Hydrochloric Acid SCHEMBL29369317 0.78 ADORA3 (0.72) ADORA3ADORA1ADORA2AAURKAJAK2
Reversine SCHEMBL1800795 0.76 ADORA3 (1.00) ADORA3ADORA1ADORA2AAURKAJAK2
Puquitinib SCHEMBL29366562 0.73 PIK3CD (0.98) ADORA3ADORA1ADORA2AAURKAJAK2
SCHEMBL7105981 0.72 XDH (0.59) ADORA3ADORA1ADORA2ABTK
Puquitinib SCHEMBL29412443 0.72 PIK3CD (1.00) ADORA3ADORA1ADORA2AAURKAJAK2
Puquitinib SCHEMBL30157235 0.72 PIK3CD (1.00) ADORA3ADORA1ADORA2AAURKAJAK2
SCHEMBL7626878 0.70 LMNA (0.58) ADORA3ADORA1ADORA2ABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1213047-C Puring derivatives inhibitors of tyrosine kinase SYK NOVARTIS AG (CH) 2005-08-03 CN disclosed
EP-1200435-B1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2003-10-01 EP disclosed
US-6589950-B1 Treatment of inflammatory or obstructive airways disease for respiratory system disorders NOVARTIS AG (CH) 2003-07-08 US disclosed
CN-1365360-A purine derivative inhibitors of tyrosine protein kinase SYK NOVARTIS AG (CH) 2002-08-21 CN disclosed
EP-1200435-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK Novartis AG (CH) 2002-05-02 EP disclosed
WO-2001009134-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2001-02-08 WO disclosed