SCHEMBL27294154

SCHEMBL27294154

CCOC(=O)c1cnc(Nc2ccccn2)nc1Nc1cccc(-c2nc3ccccc3o2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTK2 Q05397 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALOX15 P16050 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ TYK2 P29597 1/20 0.41
▸ SIRT5 Q9NXA8 4/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL30923307 0.90 NPSR1 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL27294096 0.90 NPSR1 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL27291002 0.89 TYK2 (0.45) PTK2NPSR1HSD17B10TYK2IGF1R
SCHEMBL30923183 0.89 TYK2 (0.45) PTK2NPSR1HSD17B10TYK2IGF1R
SCHEMBL27294412 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL27294058 0.88 TYK2 (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL27292595 0.86 MAPT (0.49) ALDH1A1SMN1; SMN2PTK2MAPTNPSR1
SCHEMBL30923248 0.86 MAPT (0.49) ALDH1A1SMN1; SMN2PTK2MAPTNPSR1
SCHEMBL27291710 0.86 HSD17B10 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL27291804 0.86 HSD17B10 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1PKM

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-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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