SCHEMBL21177943

SCHEMBL21177943

N#Cc1ccncc1O[C@H]1CCN(c2cc(NNC(=O)O)ncn2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.40
▸ GPR6 P46095 3/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ ACACB O00763 3/20 0.37
▸ TBK1 Q9UHD2 3/20 0.37
▸ IKBKE Q14164 2/20 0.37
▸ RET P07949 1/20 0.37
▸ DCK P27707 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 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
SCHEMBL21177698 0.88 GPR119 (0.40) PDE10AGPR6TBK1IKBKERET
SCHEMBL21191757 0.87 PDE10A (0.44) PDE10AGPR6CHEK1CHEK2KDR
SCHEMBL21191758 0.85 PDE10A (0.43) PDE10AGPR6CHEK1CHEK2KDR
SCHEMBL21177314 0.85 PDE10A (0.43) PDE10AGPR6CHEK1CHEK2KDR
Hydrochloric Acid SCHEMBL21177938 0.84 PDE10A (0.42) PDE10AGPR6CHEK1CHEK2KDR
SCHEMBL21177705 0.79 PDE10A (0.42) PDE10AGPR6RETDCKCHRM4
SCHEMBL21191756 0.79 PDE10A (0.42) PDE10AGPR6RETDCKCHRM4
SCHEMBL21179336 0.76 PDE10A (0.41) PDE10AGPR6ACACBRETDCK
SCHEMBL21179334 0.74 GPR6 (0.41) GPR6TBK1JAK2HCRTR1HCRTR2
SCHEMBL21179390 0.74 GPR6 (0.41) GPR6TBK1JAK2HCRTR1HCRTR2

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-2019141957-A1 N-PYRIMIDINYL HYDROXY PYRAZOLE DERIVATIVES AND USES THEREOF CADO BIOTECHNOLOGY IVS (DK) 2019-07-25 — — WO disclosed
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