SCHEMBL7106970

SCHEMBL7106970

O=S(=O)(Cl)c1ccc(Nc2nc(NC3CCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.50
ADORA3 P0DMS8 11/20 0.47
ADORA2A P29274 4/20 0.47
ADORA1 P30542 4/20 0.47
MEN1 O00255 1/20 0.43
AURKA O14965 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
TTK P33981 1/20 0.43
JAK3 P52333 1/20 0.43
KMT2A Q03164 1/20 0.43
AURKB Q96GD4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AURKC Q9UQB9 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
SCHEMBL7104515 0.84 ADORA3 (0.64) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL7106973 0.84 ADORA3 (0.68) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL4917250 0.84 ADORA3 (0.49) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL21601510 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL21601563 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL21601504 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL31061104 0.81 ADORA3 (0.69) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL13301204 0.79 SYK (0.50) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL13301205 0.79 MEN1 (0.48) SYKADORA3ADORA2AADORA1MEN1
SCHEMBL1223740 0.79 SYK (0.60) SYKADORA3ADORA2AADORA1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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