SCHEMBL21179390

SCHEMBL21179390

N#Cc1ccncc1OC1CCN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 2/20 0.41
▸ IKBKB O14920 2/20 0.41
▸ CHUK O15111 1/20 0.41
▸ PIK3CD O00329 4/20 0.41
▸ PIK3CA P42336 4/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ NAMPT P43490 3/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ TBK1 Q9UHD2 3/20 0.39
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL21179334 1.00 GPR6 (0.41) GPR6IKBKBCHUKPIK3CDPIK3CA
SCHEMBL21191755 0.85 GPR119 (0.55) PIK3CDPIK3CAGPR119PIK3CBPIK3CG
Fumaric Acid SCHEMBL10370924 0.82 HRH1 (0.44) GPR6HCRTR1HCRTR2
Fumaric Acid SCHEMBL10372505 0.82 HRH1 (0.44) GPR6HCRTR1HCRTR2
SCHEMBL26601574 0.81 GPR119 (0.43) GPR119ELANE
SCHEMBL10369852 0.81 HRH3 (0.43) GPR6TBK1
SCHEMBL15691866 0.79 GPR119 (0.43) GPR6IKBKBCHUKGPR119ELANE
SCHEMBL25246190 0.79 IKBKB (0.43) IKBKBCHUKNAMPT
SCHEMBL31302342 0.79 IKBKB (0.43) IKBKBCHUKNAMPT
SCHEMBL25292960 0.75 IKBKB (0.40) IKBKBCHUKNAMPT

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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