SCHEMBL11101367

SCHEMBL11101367

CONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 9/20 0.42
▸ KDM4E B2RXH2 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL11107442 0.81 TBK1 (0.51) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11100149 0.81 TBK1 (0.46) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11096969 0.81 TBK1 (0.46) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11099321 0.81 TBK1 (0.52) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11125441 0.80 TBK1 (0.46) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11102394 0.80 TBK1 (0.48) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11394398 0.80 TBK1 (0.43) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11101370 0.78 TBK1 (0.42) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11098817 0.77 RAB9A (0.43) TBK1KDM4ERAB9ANPC1ABCC4
SCHEMBL11356803 0.74 TBK1 (0.44) TBK1KDM4ERAB9ANPC1ABCC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026675-B1 1-AZAXANTHONE-3-CARBOXYLIC ACIDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1984-03-14 — — EP disclosed
US-4302463-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-24 — — US disclosed
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