SCHEMBL16631404

SCHEMBL16631404

CCc1cn(Cc2cn(C)nn2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CA9 Q16790 6/20 0.40
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
MAPK1 P28482 1/20 0.39
EP300 Q09472 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HPGD P15428 1/20 0.35
CA4 P22748 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
TK1 P04183 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 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
SCHEMBL18081900 0.84 MAPK1 (0.54) CA9CA12MAPK1HPGD
SCHEMBL18080407 0.81 GRIN1 (0.39) GRIN1GRIN2BCA9CA12CA1
SCHEMBL16631451 0.78 CYP19A1 (0.53) HPGD
SCHEMBL16631717 0.74 DDB1 (0.38) GRIN1GRIN2BMAPK1DDB1CRBN
SCHEMBL23957853 0.72 MAPK1 (0.43) GRIN1GRIN2BMAPK1HPGDDRD2
SCHEMBL16631398 0.70 MAPK1 (0.51) CA9CA12MAPK1EP300HPGD
SCHEMBL7213260 0.70 CYP1A2 (0.55) MAPK1DRD2DRD3TK1CYP1A2
SCHEMBL16631548 0.70 PYGM (0.38) GRIN1GRIN2B
SCHEMBL7821405 0.70 HPGD (0.69) MAPK1HPGDTK1
SCHEMBL18080366 0.69 DDB1 (0.35) GRIN1GRIN2BDDB1CRBN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed