SCHEMBL1875802

SCHEMBL1875802

CCCn1c(Oc2ccc[nH]c2=O)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.44
ADORA2B P29275 3/20 0.41
ADORA2A P29274 2/20 0.41
ADORA3 P0DMS8 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL1866236 0.86 ADORA1 (0.41) ADORA1ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL1868690 0.84 ADORA1 (0.57) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1868269 0.83 ADORA1 (0.59) ADORA1ADORA2BADORA2AADORA3KDM4E
SCHEMBL1871420 0.81 ADORA1 (0.41) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1875306 0.81 ADORA1 (0.56) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1871164 0.80 ADORA1 (0.45) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1867846 0.80 ADORA1 (0.41) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1870705 0.80 ADORA1 (0.42) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1869240 0.80 ADORA1 (0.38) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1875998 0.79 ADORA1 (0.38) ADORA1ADORA2BADORA2AADORA3

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-2499142-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF Advinus Therapeutics Limited (IN) 2012-09-19 EP claimed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO claimed