SCHEMBL16631319

SCHEMBL16631319

CCc1cn(-c2cn(CC)c(=O)[nH]c2=O)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.38
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
AMY1A P0DUB6 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXRA P19793 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CA4 P22748 1/20 0.33
NOTUM Q6P988 2/20 0.33
HTR2A P28223 1/20 0.32
GNRHR P30968 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32

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
SCHEMBL18081899 0.85 CA9 (0.35) CA9CA12CA1CA2AMY1A
SCHEMBL18080383 0.82 CA12 (0.34) CA9CA12CA1CA2AMY1A
SCHEMBL16631483 0.80 EGLN2 (0.40) CA9CA12CA1CA2SMN1; SMN2
SCHEMBL23957853 0.70 MAPK1 (0.43) SMN1; SMN2GRIN1GRIN2BPDE4AADORA2A
SCHEMBL16631677 0.69 MAPK1 (0.44)
SCHEMBL16631388 0.68 KCNMA1 (0.47)
SCHEMBL2183944 0.67 MAPK1 (0.61) SMN1; SMN2
SCHEMBL18080384 0.66 KCNMA1 (0.46)
SCHEMBL3274999 0.66 SMN1; SMN2 (0.40) SMN1; SMN2PDE4AADORA2APDE4BPDE4C
SCHEMBL18080418 0.66 EP300 (0.33) CA9

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