SCHEMBL6206740

SCHEMBL6206740

Nc1nc(C(=O)N2CCC(N3CCCCC3)CC2)cc2nc(-c3ccco3)nn12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.60
ADORA1 P30542 1/20 0.57
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6047220 0.91 ADORA2A (0.72) ADORA2AADORA1KDM4EUSP2ALDH1A1
SCHEMBL6047293 0.91 ADORA2A (0.72) ADORA2AADORA1KDM4EUSP2ALDH1A1
SCHEMBL6047365 0.90 ADORA2A (0.72) ADORA2AADORA1KDM4EUSP2ALDH1A1
SCHEMBL6047236 0.88 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL6047219 0.87 ADORA2A (0.57) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL6047235 0.86 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6047388 0.84 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL6047262 0.84 ADORA2A (0.60) ADORA2AALDH1A1
SCHEMBL6047247 0.84 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL6047302 0.82 ADORA2A (0.52) ADORA2AADORA1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1544200-A1 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-22 EP disclosed