SCHEMBL1870248

SCHEMBL1870248

CCCn1c(OCc2ccccc2)nc(=O)c2c1N=C(C1CCCCC1)[N]2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.39
ADORA1 P30542 8/20 0.37
ADORA2A P29274 5/20 0.37
KMT2A Q03164 1/20 0.35
ADORA2B P29275 3/20 0.34
PKM P14618 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
GRM5 P41594 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL1868311 0.91 ADORA1 (0.34) ADORA3ADORA1ADORA2AKMT2AADORA2B
SCHEMBL1866092 0.89 PDE5A (0.33) KMT2APKMMAOAMAOBGRM5
SCHEMBL1871420 0.82 ADORA1 (0.41) ADORA3ADORA1ADORA2AKMT2AADORA2B
SCHEMBL1866236 0.82 ADORA1 (0.41) ADORA3ADORA1ADORA2AKMT2AADORA2B
SCHEMBL1875007 0.80 ADORA1 (0.55) ADORA3ADORA1ADORA2AADORA2BKDM2B
SCHEMBL1868543 0.80 ADORA1 (0.35) ADORA3ADORA1ADORA2AKMT2AADORA2B
SCHEMBL1871164 0.80 ADORA1 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1866939 0.80 ADORA1 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1870705 0.79 ADORA1 (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1869240 0.79 ADORA1 (0.38) ADORA3ADORA1ADORA2AADORA2B

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