SCHEMBL1721175

SCHEMBL1721175

CCCn1c(-c2cccc(C(F)(F)F)c2)nc2c(c1=O)[N]C(c1ccc(OCc3ccccc3)cc1)=N2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.44
ADORA1 P30542 2/20 0.43
GPR34 Q9UPC5 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
PPARD Q03181 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR4A2 P43354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1720864 0.88 ADORA2B (0.43) ADORA2BADORA1GPR34MAOBMAOA
SCHEMBL2685011 0.79 ADORA1 (0.58) ADORA2BADORA1
SCHEMBL30891856 0.79 ADORA1 (0.58) ADORA2BADORA1
SCHEMBL2686035 0.78 ADORA1 (0.43) ADORA2BADORA1GPR34MAOBMAOA
SCHEMBL1721091 0.75 ADORA1 (0.43) ADORA2BADORA1MAOAPPARDALDH1A1
SCHEMBL1721383 0.71 ADORA2B (0.37) ADORA2BADORA1
SCHEMBL11435944 0.69 GSTP1 (0.50) GPR34MAOBPPARDNR4A2
SCHEMBL30891822 0.66 ADORA1 (0.63) ADORA2BADORA1
SCHEMBL2684084 0.66 ADORA1 (0.63) ADORA2BADORA1
SCHEMBL1946830 0.65 ADORA2B (0.62) ADORA2BADORA1ALDH1A1HPGDKDM4E

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-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO disclosed