SCHEMBL6510879

SCHEMBL6510879

Cn1cnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2B P29275 2/20 0.41
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 11/20 0.36
CNR2 P34972 8/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6506902 0.85 CNR1 (0.44) ADORA2AADORA1ADORA2BKMT2ANPC1
SCHEMBL6507869 0.81 CNR1 (0.49) ADORA2AADORA1ADORA2BCNR1
SCHEMBL4842601 0.79 SRC (0.41) KMT2ANPC1MEN1RAB9ANPSR1
SCHEMBL4836399 0.79 CNR1 (0.38) ADORA2AADORA1ADORA2BKMT2ANPC1
SCHEMBL5380218 0.77 NPC1 (0.47) ADORA2AADORA1ADORA2BKMT2ANPC1
SCHEMBL5377986 0.76 KMT2A (0.48) KMT2ANPC1MEN1RAB9ANPSR1
SCHEMBL5380215 0.76 NPC1 (0.62) KMT2ANPC1MEN1RAB9ANPSR1
SCHEMBL4832926 0.75 CNR1 (0.45) KMT2ANPC1MEN1RAB9ANPSR1
SCHEMBL5375812 0.75 NPC1 (0.45) ADORA2AADORA1ADORA2BKMT2ANPC1
SCHEMBL4833400 0.75 SRC (0.39) KMT2ANPC1MEN1RAB9ANPSR1

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
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO claimed
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO disclosed