SCHEMBL1870705

SCHEMBL1870705

CCCn1c(Oc2cccnc2)nc(=O)c2c1N=C(C1CCCCC1)[N]2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.42
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 2/20 0.38
ADORA2A P29274 1/20 0.38
CHRNA1 P02708 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34

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
SCHEMBL1875306 0.86 ADORA1 (0.56) ADORA1ADORA3ADORA2BADORA2ACHRNB1
SCHEMBL1875007 0.86 ADORA1 (0.55) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1871164 0.84 ADORA1 (0.45) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1866382 0.84 ADORA1 (0.57) ADORA1ADORA3ADORA2BADORA2ACHRNB2
SCHEMBL1871420 0.83 ADORA1 (0.41) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1864689 0.83 ADORA1 (0.44) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1870513 0.82 ADORA1 (0.58) ADORA1ADORA3ADORA2B
SCHEMBL1868690 0.82 ADORA1 (0.57) ADORA1ADORA3ADORA2BADORA2ACHRNB1
SCHEMBL1866939 0.82 ADORA1 (0.44) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1874917 0.81 ADORA1 (0.57) ADORA1ADORA3ADORA2BADORA2A

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