SCHEMBL1868543

SCHEMBL1868543

CC#CCOc1nc(=O)c2c(n1CCC)N=C(C1CCCC1)[N]2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.35
ADORA2B P29275 6/20 0.33
ADORA2A P29274 5/20 0.33
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL1867015 0.82 ADORA1 (0.47) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1870248 0.80 ADORA3 (0.39) ADORA1ADORA2BADORA2AADORA3KMT2A
SCHEMBL1871420 0.80 ADORA1 (0.41) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1868311 0.79 ADORA1 (0.34) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1871069 0.79 ADORA1 (0.54) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1870822 0.78 ADORA1 (0.55) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1870309 0.78 ADORA1 (0.55) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1887812 0.78 ADORA2B (0.39) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1869565 0.77 ADORA2A (0.40) ADORA1ADORA2BADORA2AMEN1GMNN
SCHEMBL1864786 0.77 ADORA1 (0.39) 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