SCHEMBL7104515

SCHEMBL7104515

c1ccc(Nc2nc(NC3CCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.64
ADORA2A P29274 6/20 0.64
ADORA1 P30542 6/20 0.64
SYK P43405 1/20 0.55
PAK4 O96013 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.49
MEN1 O00255 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
BLM P54132 1/20 0.48
CDK5 Q00535 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
CDK5R1 Q15078 1/20 0.48
MERTK Q12866 4/20 0.48
NPY5R Q15761 1/20 0.46

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
SCHEMBL31061104 0.96 ADORA3 (0.69) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL21601510 0.96 ADORA3 (0.69) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL21601563 0.96 ADORA3 (0.69) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL21601504 0.96 ADORA3 (0.69) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL4920899 0.85 ADORA3 (0.53) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL7106970 0.84 SYK (0.50) ADORA3ADORA2AADORA1SYKMEN1
SCHEMBL13301199 0.84 IRAK4 (0.51) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL13301201 0.83 FLT3 (0.53) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL13301204 0.82 SYK (0.50) ADORA3ADORA2AADORA1SYKPAK4
SCHEMBL459413 0.82 IGF1R (0.51) ADORA3ADORA2AADORA1SYKIRAK4

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