SCHEMBL1865763

SCHEMBL1865763

CCCn1c(Oc2ccccc2)nc(=O)c2c1N=C(C1CCC(CO)C1)[N]2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 2/20 0.34
TNK2 Q07912 2/20 0.32
PDE10A Q9Y233 4/20 0.31
ADORA2B P29275 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1875007 0.76 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1871234 0.74 ADORA1 (0.47) ADORA1ADORA3ADORA2ATNK2ADORA2B
SCHEMBL1861450 0.72 ADORA1 (0.49) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1869254 0.72 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1869240 0.72 ADORA1 (0.38) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1875802 0.70 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1871069 0.68 ADORA1 (0.54) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1867187 0.68 ADORA2A (0.34) ADORA1ADORA2AADORA2B
SCHEMBL1871663 0.64 TP53 (0.45) ADORA1TP53MAPT
SCHEMBL1870822 0.64 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2B

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