SCHEMBL9958195

SCHEMBL9958195

Cc1nc(NC(=O)C(C)(C)Oc2ccc(F)cc2F)sc1OC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.62
▸ ADORA2A P29274 12/20 0.52
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA2B P29275 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ HSD11B1 P28845 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PIK3C2A O00443 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ RPS6KA4 O75676 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ DYRK1A Q13627 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
SCHEMBL2655845 0.86 GCK (0.63) GCKADORA2AADORA3ADORA2BADORA1
SCHEMBL9958316 0.84 GCK (0.71) GCKADORA2AADORA3ADORA2BADORA1
SCHEMBL9958151 0.83 GCK (0.45) GCKADORA2ARAB9ANPC1ALDH1A1
SCHEMBL2657915 0.80 GCK (0.63) GCKADORA2AKMT2ARAB9ANPC1
SCHEMBL2656113 0.79 GCK (0.74) GCKADORA2AADORA3ADORA2BADORA1
SCHEMBL2656945 0.77 GCK (0.67) GCKADORA2AADORA3ADORA2BADORA1
SCHEMBL2656632 0.77 GCK (1.00) GCKADORA2AADORA3ADORA2BADORA1
SCHEMBL2656431 0.77 GCK (0.59) GCKADORA2AADORA3ADORA2BADORA1
SCHEMBL2655826 0.75 GCK (0.82) GCKADORA2AADORA3ADORA2BADORA1
SCHEMBL2654866 0.75 GCK (0.65) GCKADORA2AADORA3ADORA2BADORA1

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
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 — — EP claimed
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