SCHEMBL7866286

SCHEMBL7866286

CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(C)cc3)nc21

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.79
ADORA2A P29274 7/20 0.79
ADORA1 P30542 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK1 P28482 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL7866612 0.89 ADORA2B (0.77) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL9765885 0.88 ADORA2B (1.00) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL7866628 0.88 ADORA2B (0.61) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL14564546 0.83 ADORA2B (0.79) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL3479031 0.82 ADORA2B (0.67) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL7228416 0.79 ADORA2B (0.74) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL7866617 0.78 ADORA2B (0.62) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL7869485 0.77 ADORA2B (0.69) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL7858226 0.77 ADORA2B (0.70) ADORA2BADORA2AADORA1KDM4EALDH1A1
SCHEMBL1946291 0.76 ADORA2B (0.78) ADORA2BADORA2AADORA1ADORA3

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
US-6306847-B1 ANTIALLERGENS AND BRONCHODILATOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-10-23 US disclosed
EP-0884318-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-12-16 EP disclosed