SCHEMBL6529699

SCHEMBL6529699

O=C(O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.74
ADORA3 P0DMS8 6/20 0.74
ADORA2A P29274 3/20 0.68
ADORA2B P29275 1/20 0.68
MAPT P10636 1/20 0.58
AGTR1 P30556 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL26055757 0.85 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMAPT
SCHEMBL6498848 0.84 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL24227646 0.81 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BMAPT
SCHEMBL6505603 0.81 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMAPT
SCHEMBL6507291 0.81 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BTDP1
SCHEMBL6502989 0.81 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BTDP1
SCHEMBL4262461 0.81 ADORA1 (0.54) ADORA1ADORA3ADORA2AADORA2BMAPT
SCHEMBL24227492 0.80 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL6499771 0.79 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL16372101 0.77 SYK (0.60) ADORA1ADORA3ADORA2AADORA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033085-A1 PYRIMIDINES DERIVATIVES AS ADENOSINE RECEPTORS LIGANDS UNIVERSITEIT LEIDEN (NL) 2005-04-14 WO disclosed