SCHEMBL27997668

SCHEMBL27997668

C[S+]([O-])c1nccc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ DUSP10 Q9Y6W6 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ASIC3 Q9UHC3 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 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
SCHEMBL4490141 0.83 MEN1 (0.49) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL5914308 0.83 AURKA (0.39) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL6070210 0.80 TGFBR1 (0.56) AURKAPRKACAPRKCDFGFR1RPS6KA3
SCHEMBL5726072 0.80 TGFBR1 (0.48) AURKAPRKACAKDM4EPRKCDMAPK8
SCHEMBL5914113 0.80 MEN1 (0.39) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL5315985 0.78 IKBKB (0.36) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL5780175 0.78 ADORA2A (0.36) ADORA2AMAPTKDM4EL3MBTL1NPSR1
SCHEMBL5777962 0.78 ALDH1A1 (0.52) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL5727412 0.77 MAPK1 (0.51) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL27618478 0.76 MAPK8 (0.52) AURKAMAPTMAPK8CLK4

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-104271576-A Pyridopyrimidinone inhibitors of kinases ABBVIE INC 2015-01-07 — — CN disclosed
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