SCHEMBL13861874

SCHEMBL13861874

CCn1c(=O)[nH]c2ncn(Cc3ccccc3)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 7/20 0.70
PARN O95453 1/20 0.70
BRD4 O60885 1/20 0.55
POLB P06746 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ADORA2B P29275 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ADORA3 P0DMS8 2/20 0.48
KMT2A Q03164 2/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MEN1 O00255 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
SCHEMBL8798601 0.91 CNOT7 (0.76) CNOT7PARNBRD4POLBHIF1A
SCHEMBL2984842 0.87 CNOT7 (0.54) CNOT7PARNBRD4ALDH1A1ADORA2B
SCHEMBL2993196 0.86 CNOT7 (0.53) CNOT7PARNBRD4ALDH1A1ADORA2B
SCHEMBL4420441 0.85 CNOT7 (0.72) CNOT7PARNBRD4POLBHIF1A
SCHEMBL10812168 0.84 PDE4A (0.53) CNOT7PARNBRD4ALDH1A1ADORA2B
SCHEMBL9391031 0.81 CNOT7 (0.59) CNOT7PARNBRD4POLBHIF1A
SCHEMBL9844553 0.81 PDE4A (0.56) CNOT7PARNBRD4ALDH1A1ADORA2B
SCHEMBL16058255 0.81 CNOT7 (0.58) CNOT7PARNBRD4POLBHIF1A
SCHEMBL16312820 0.80 CNOT7 (0.57) CNOT7PARNBRD4POLBHIF1A
SCHEMBL7443281 0.80 CNOT7 (0.46) CNOT7PARNKMT2AADORA2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531544-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2009-05-12 US disclosed
US-7531544-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2009-05-12 US disclosed
US-7312223-B2 8-Amino-7-phenylmethyl-1-ethyl-3,7-dihydro-3-(2-hydroxyethyl)-purine-2,6-dione derivatives; urogenital, respiratory system, kidney, cardiovascular, autoimmune or brain disorders; angina pectoris, hypertension, restenosis; anticarcinogenic, hypoglycemic, antiischemic, and hypotensive agents; diabetes SCHERING CORPORATION (US) 2007-12-25 US disclosed
US-7312223-B2 8-Amino-7-phenylmethyl-1-ethyl-3,7-dihydro-3-(2-hydroxyethyl)-purine-2,6-dione derivatives; urogenital, respiratory system, kidney, cardiovascular, autoimmune or brain disorders; angina pectoris, hypertension, restenosis; anticarcinogenic, hypoglycemic, antiischemic, and hypotensive agents; diabetes SCHERING CORPORATION (US) 2007-12-25 US disclosed
US-7268141-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2007-09-11 US disclosed
US-7268141-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2007-09-11 US disclosed