SCHEMBL7104518

SCHEMBL7104518

c1ccc(Nc2nc(NC3CCC3)c3[nH]cnc3n2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.93
ADORA1 P30542 6/20 0.93
ADORA2A P29274 5/20 0.93
GPR183 P32249 1/20 0.66
MEN1 O00255 1/20 0.64
AURKA O14965 1/20 0.64
JAK2 O60674 1/20 0.64
JAK1 P23458 1/20 0.64
TYK2 P29597 1/20 0.64
TTK P33981 1/20 0.64
JAK3 P52333 1/20 0.64
KMT2A Q03164 1/20 0.64
AURKB Q96GD4 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
AURKC Q9UQB9 1/20 0.64
BTK Q06187 1/20 0.63
PIK3CD O00329 1/20 0.62
PIK3CA P42336 1/20 0.62
PIK3CB P42338 1/20 0.62
PIK3CG P48736 1/20 0.62

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
SCHEMBL7106973 0.84 ADORA3 (0.68) ADORA3ADORA1ADORA2AMEN1AURKA
SCHEMBL459414 0.83 ADORA3 (0.68) ADORA3ADORA1ADORA2AGPR183AURKA
SCHEMBL7104515 0.81 ADORA3 (0.64) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL31747057 0.80 ADORA3 (0.74) ADORA3ADORA1ADORA2AMEN1AURKA
SCHEMBL30991021 0.80 ADORA3 (1.00) ADORA3ADORA1ADORA2AGPR183AURKA
Hydrochloric Acid SCHEMBL29369317 0.79 ADORA3 (0.72) ADORA3ADORA1ADORA2AMEN1AURKA
Reversine SCHEMBL1800795 0.79 ADORA3 (1.00) ADORA3ADORA1ADORA2AMEN1AURKA
SCHEMBL21601510 0.78 ADORA3 (0.69) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL21601563 0.78 ADORA3 (0.69) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL21601504 0.78 ADORA3 (0.69) ADORA3ADORA1ADORA2AMEN1KMT2A

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