SCHEMBL1867769

SCHEMBL1867769

CCCn1c(SC2CCCCC2)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ADORA2B P29275 6/20 0.37
ADORA2A P29274 6/20 0.37
ADORA1 P30542 4/20 0.36
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 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
SCHEMBL1870191 0.92 ADORA2A (0.38) MAOAMAOBADORA2BADORA2AADORA1
SCHEMBL1869565 0.82 ADORA2A (0.40) ADORA2BADORA2AADORA1MEN1GMNN
SCHEMBL1887812 0.81 ADORA2B (0.39) ADORA2BADORA2AADORA1MEN1GMNN
SCHEMBL1872748 0.79 ADORA2A (0.32) ADORA2BADORA2AADORA1MEN1GMNN
SCHEMBL1868403 0.75 ADORA2B (0.35) ADORA2BADORA2AADORA1MEN1GMNN
SCHEMBL1867015 0.74 ADORA1 (0.47) ADORA2BADORA2AADORA1MEN1GMNN
SCHEMBL1865499 0.73 ADORA1 (0.36) ADORA2BADORA2AADORA1MEN1GMNN
SCHEMBL1870248 0.73 ADORA3 (0.39) MAOAMAOBADORA2BADORA2AADORA1
SCHEMBL1870822 0.73 ADORA1 (0.55) ADORA2BADORA2AADORA1MEN1GMNN
SCHEMBL1870309 0.73 ADORA1 (0.55) ADORA2BADORA2AADORA1MEN1GMNN

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