SCHEMBL19937702

SCHEMBL19937702

CCOc1ccc2nc(NC)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ HCK P08631 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ ACACB O00763 4/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PTPN1 P18031 1/20 0.36

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
SCHEMBL14243031 0.82 LCK (0.41) POLBHCKBTKNPC1SMN1; SMN2
SCHEMBL13652939 0.79 HSD17B10 (0.42) NPC1ACACBSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30526543 0.78 PIK3CD (0.55) NPC1ACACBSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL184566 0.78 PIK3CD (0.55) NPC1ACACBSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13218005 0.73 LDHA (0.40) POLBHCKBTKNPC1SMN1; SMN2
SCHEMBL23095399 0.71 IRAK4 (0.44) POLBNPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19455004 0.71 LDHA (0.39) POLBHCKBTKNPC1SMN1; SMN2
SCHEMBL21665291 0.70 ACHE (0.45) —
SCHEMBL13201318 0.69 LDHA (0.37) POLBHCKBTKNPC1ALDH1A1
SCHEMBL31290967 0.68 BRAF (0.47) HCKBTKNPC1SMN1; SMN2ALDH1A1

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-2402327-B1 Acetamide compounds as glucokinase activators, their process and medicinal applications IMPETIS BIOSCIENCES LTD (IN) 2018-03-07 — — EP disclosed
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