SCHEMBL30612383

SCHEMBL30612383

CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)ccnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ UCHL1 P09936 1/20 0.41
▸ PDE4B Q07343 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TBXAS1 P24557 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL30612393 0.88 PTPN1 (0.43) SMN1; SMN2PDE4BALDH1A1HTTKDM4E
SCHEMBL30529592 0.87 PTPN1 (0.41) MAPTSMN1; SMN2PDE4BALDH1A1HTT
SCHEMBL16794693 0.83 MAPT (0.42) IDO1GAAMAPTSMN1; SMN2UCHL1
SCHEMBL20557221 0.81 MAPT (0.39) IDO1GAAMAPTPDE4BADORA3
SCHEMBL20557551 0.79 TYK2 (0.45) IDO1GAAMAPTPDE4BADORA3
SCHEMBL20504574 0.78 IDO1 (0.37) IDO1GAAMAPTSMN1; SMN2PDE4B
SCHEMBL31245703 0.78 MAPT (0.40) IDO1GAAMAPTSMN1; SMN2UCHL1
SCHEMBL24263379 0.77 TYK2 (0.46) IDO1GAAMAPTSMN1; SMN2ADORA3
SCHEMBL24263290 0.75 GAA (0.37) IDO1GAAMAPTSMN1; SMN2PDE4B
SCHEMBL16794637 0.75 TYK2 (0.45) IDO1GAAMAPTADORA3ADORA2A

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
CN-117043164-A Imidazopyridazine or pyrazolopyrimidine compounds and compositions 安锐生物医药科技(广州)有限公司 2023-11-10 — — CN disclosed
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