SCHEMBL3261709

SCHEMBL3261709

[c]1ccc(Nc2nc(NC3CC4CCC3C4)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
GPR183 P32249 1/20 0.46
SYK P43405 1/20 0.41
GBA1 P04062 1/20 0.40
VCP P55072 1/20 0.38
RET P07949 1/20 0.38
GABBR2 O75899 9/20 0.37
GABBR1 Q9UBS5 9/20 0.37
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35

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
SCHEMBL3228883 0.80 ADORA1 (0.40) ADORA3ADORA2AADORA1GPR183SYK
SCHEMBL3228889 0.78 ADORA1 (0.39) ADORA3ADORA2AADORA1GPR183SYK
SCHEMBL3236210 0.78 GABBR2 (0.51) GBA1GABBR2GABBR1PDGFRBPDGFRA
SCHEMBL3229963 0.77 ADORA1 (0.38) ADORA3ADORA2AADORA1GPR183SYK
SCHEMBL16391919 0.74 ABCG2 (0.49) ADORA3ADORA2AADORA1GPR183GBA1
SCHEMBL15102267 0.73 ADORA3 (0.55) ADORA3ADORA2AADORA1GPR183GBA1
SCHEMBL15124922 0.73 ADORA3 (0.55) ADORA3ADORA2AADORA1GPR183GBA1
SCHEMBL29560792 0.73 ADORA3 (0.55) ADORA3ADORA2AADORA1GPR183GBA1
SCHEMBL29389493 0.72 MEN1 (0.47) ADORA3ADORA2AADORA1GBA1GABBR2
SCHEMBL16391827 0.71 GBA1 (0.49) ADORA3ADORA2AADORA1GPR183GBA1

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-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed