SCHEMBL1866522

SCHEMBL1866522

CCCn1cnc2nc[nH]c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.49
PDE4B Q07343 13/20 0.49
PDE4C Q08493 13/20 0.49
PDE4D Q08499 13/20 0.49
ADORA2A P29274 11/20 0.49
ADORA2B P29275 9/20 0.49
ADORA3 P0DMS8 2/20 0.47
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.43
ADORA1 P30542 1/20 0.43
BLM P54132 1/20 0.43
PDE3A Q14432 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPA1 O75762 1/20 0.42

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
SCHEMBL7684288 0.91 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11270394 0.88 ADORA2B (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL26248657 0.87 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2115743 0.78 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1866524 0.77 ADORA2A (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5616439 0.76 ADORA2B (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7684917 0.75 ALDH1A1 (0.42) ADORA2BADORA3ALDH1A1TRPA1
SCHEMBL6676183 0.74 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3306010 0.74 ACP1 (0.55) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL1720238 0.73 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118001282-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2024-05-10 CN claimed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO claimed
CN-118001282-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2024-05-10 CN disclosed
EP-2499142-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF Advinus Therapeutics Limited (IN) 2012-09-19 EP disclosed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO disclosed