SCHEMBL31433361

SCHEMBL31433361

O=C(O)c1ccc2ncn(C3CCO3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
HSD17B10 Q99714 1/20 0.53
FGFR1 P11362 2/20 0.50
HCAR3 P49019 5/20 0.44
HPGD P15428 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.40
MAPK8 P45983 1/20 0.39
LMNA P02545 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
TBXA2R P21731 1/20 0.39
RXRA P19793 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
SCHEMBL14723167 0.84 GAA (0.68) GAAHSD17B10FGFR1HCAR3HPGD
SCHEMBL30497269 0.83 GAA (0.70) GAAHSD17B10FGFR1HCAR3HPGD
SCHEMBL1844583 0.81 FGFR1 (0.44) GAAHSD17B10FGFR1HPGDALDH1A1
SCHEMBL30497313 0.81 GAA (0.75) GAAHSD17B10FGFR1HCAR3HPGD
SCHEMBL29779897 0.81 GAA (0.56) GAAHSD17B10FGFR1HCAR3HPGD
SCHEMBL23361781 0.78 FGFR1 (0.47) GAAHSD17B10FGFR1TBXA2R
SCHEMBL29393184 0.78 FGFR1 (0.47) GAAHSD17B10FGFR1TBXA2R
SCHEMBL20268541 0.78 FGFR1 (0.47) GAAHSD17B10FGFR1TBXA2R
SCHEMBL30548170 0.78 FGFR1 (0.47) GAAHSD17B10FGFR1TBXA2R
Ammonia Solution, Strong SCHEMBL30676125 0.77 FGFR1 (0.46) GAAHSD17B10FGFR1TBXA2R

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-119585249-A Process and intermediates for preparing 2- [ (4- {6- [ (4-cyano-2-fluorobenzyl) oxy ] pyridin-2-yl } piperidin-1-yl) methyl ] -1- [ (2S) -oxetan-2-ylmethyl ] -1H-benzimidazole-6-carboxylic acid, 1, 3-dihydroxy-2- (hydroxymethyl) propan-2-amine salt 辉瑞公司 2025-03-07 CN disclosed