SCHEMBL1866798

SCHEMBL1866798

CCCn1c(Oc2cccc(F)c2)nc2nc(C34CC5CC(C3)CC(C(O)c3nc(C(=O)O)cs3)(C5)C4)[nH]c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 3/20 0.32
ADORA2A P29274 2/20 0.32
PTGER2 P43116 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
SLC22A11 Q9NSA0 1/20 0.30
LDHA P00338 1/20 0.30

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
SCHEMBL1866468 0.86 ADORA1 (0.42) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1871458 0.85 ADORA1 (0.43) ADORA1ADORA3ADORA2BADORA2APTGER2
SCHEMBL1867558 0.81 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL18059635 0.80 ADORA1 (0.42) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL12080727 0.76 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL18059631 0.75 ADORA1 (0.44) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL1870633 0.75 ADORA1 (0.53) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL18059621 0.74 ADORA1 (0.49) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1874864 0.72 ADORA1 (0.54) ADORA1ADORA3ADORA2BADORA2ASLC6A3
SCHEMBL12089679 0.72 ADORA1 (0.52) ADORA1ADORA3ADORA2BADORA2ASLC6A3

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 disclosed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO disclosed