SCHEMBL6269189

SCHEMBL6269189

CCNc1nc(N)nc(-c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.71
ADORA2A P29274 4/20 0.58
ADORA1 P30542 3/20 0.58
POLB P06746 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADORA2B P29275 1/20 0.58
GPR68 Q15743 5/20 0.55
HTR1A P08908 1/20 0.55
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
CDK9 P50750 1/20 0.51
RAB9A P51151 1/20 0.51
CDK5 Q00535 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CDK5R1 Q15078 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8052100 0.88 IDH1 (0.57) NPSR1ADORA2AADORA1POLBADORA2B
SCHEMBL13140029 0.87 NPSR1 (0.68) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL17840534 0.85 NPSR1 (0.73) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL4027047 0.84 NPSR1 (0.64) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL6981311 0.84 IDH1 (0.54) NPSR1ADORA2AADORA1POLBADORA2B
SCHEMBL197517 0.83 NPSR1 (0.71) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL19579565 0.83 NPSR1 (0.62) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL723370 0.83 NPSR1 (0.62) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL724054 0.83 NPSR1 (0.66) NPSR1ADORA2AADORA1POLBADORA3
SCHEMBL723591 0.81 NPSR1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601706-A1 POLYMERIC EPOXY RESIN COMPOSITION hanse chemie AG (DE) 2005-12-07 EP disclosed
WO-2004081076-A1 POLYMERIC EPOXY RESIN COMPOSITION HANSE CHEMIE AG (DE) 2004-09-23 WO disclosed