SCHEMBL723446

SCHEMBL723446

CC(C)(C)OCNc1nc(N)nc(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
ADORA2A P29274 3/20 0.49
ADORA1 P30542 2/20 0.49
POLB P06746 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2B P29275 1/20 0.49
GPR68 Q15743 6/20 0.48
HTR1A P08908 1/20 0.48
TPH1 P17752 6/20 0.46
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
IDH1 O75874 1/20 0.40
HTR2B P41595 1/20 0.40
IDH2 P48735 1/20 0.40

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
SCHEMBL724054 0.84 NPSR1 (0.66) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL723370 0.82 NPSR1 (0.62) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL724904 0.81 NPSR1 (0.61) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL725070 0.80 CA1 (0.34) NPSR1
SCHEMBL723591 0.80 NPSR1 (0.59) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL6269189 0.79 NPSR1 (0.71) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL11303621 0.78 NPSR1 (0.58) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL724229 0.77 NPSR1 (0.57) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL17840534 0.77 NPSR1 (0.73) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL13140029 0.77 NPSR1 (0.68) NPSR1ADORA2AADORA1POLBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609468-A1 METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD FUJIFILM Corporation (JP) 2013-07-03 EP disclosed
WO-2013065878-A1 METHOD OF FORMING PATTERN AND COMPOSITION FOR CROSSLINKED LAYER FORMATION TO BE USED IN THE METHOD FUJIFILM CORPORATION (JP) 2013-05-10 WO disclosed
WO-2012026622-A1 METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD FUJIFILM CORPORATION (JP) 2012-03-01 WO disclosed