SCHEMBL22842858

SCHEMBL22842858

CC(=O)c1c(C)ccc(Oc2c(F)ccc(N)c2F)c1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ CISD2 Q8N5K1 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL22842881 0.87 KCNA3 (0.35) KCNA3THRBCISD2PKMRXFP1
SCHEMBL22842880 0.86 KCNA3 (0.36) KCNA3THRBCISD2PKMRXFP1
SCHEMBL22842883 0.84 EPAS1 (0.37) KCNA3THRBMAPTKDM4EGAA
SCHEMBL22842863 0.81 SLC22A12 (0.38) KCNA3PKMRXFP1MAPTMAPK1
SCHEMBL22842864 0.80 KCNA3 (0.34) KCNA3THRBMAPTGAAMAPK1
SCHEMBL22842857 0.80 RPS6KA1 (0.35) THRBCISD2MAPTKDM4ECRHBP
SCHEMBL22832068 0.79 GRM6 (0.38) CISD2KDM4E
SCHEMBL22842867 0.77 EPAS1 (0.36) THRBRXFP1MAPTGAAMAPK1
SCHEMBL22842870 0.76 THRB (0.36) KCNA3THRBCISD2PKMRXFP1
SCHEMBL22842865 0.76 THRB (0.36) KCNA3THRBCISD2PKMRXFP1

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-2020261156-A1 QUINAZOLIN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS ARRAY BIOPHARMA INC. (US) 2020-12-30 — — WO disclosed
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