SCHEMBL202690

SCHEMBL202690

C[C@H]1CN(C(=O)OC(C)(C)C)c2nc3cnc4ccccc4c3n21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.36
GBA1 P04062 2/20 0.36
SCN9A Q15858 2/20 0.36
HCRTR2 O43614 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAP4K4 O95819 1/20 0.34
HPGDS O60760 1/20 0.33
SCN5A Q14524 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HDAC1 Q13547 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
SCHEMBL202177 0.85 PDE10A (0.38) PDE10AHCRTR2GAAKDM4EALDH1A1
SCHEMBL202168 0.82 TLR7 (0.42) MAP4K4
SCHEMBL204124 0.80 GPR119 (0.33) PDE10AGBA1SCN9AMEN1KMT2A
SCHEMBL14603888 0.73 JAK1 (0.45) GBA1HPGDS
SCHEMBL12888415 0.71 GBA1 (0.46) GBA1CKS1BSKP1SKP2CYP11B2
SCHEMBL14603865 0.71 JAK1 (0.46)
SCHEMBL14603792 0.70 JAK1 (0.54) HPGDS
SCHEMBL14604179 0.70 JAK2 (0.45) GBA1KDM4EHPGDS
SCHEMBL14603987 0.69 JAK1 (0.44) PDE10AHPGDS
SCHEMBL1231827 0.69 GBA1 (0.44) GBA1ALDH1A1CKS1BSKP1SKP2

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
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed