SCHEMBL22842864

SCHEMBL22842864

CC(=O)c1c(C)ccc(Oc2c(F)c(F)cc(N)c2Cl)c1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.34
▸ THRB P10828 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SCN10A Q9Y5Y9 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
SCHEMBL22842880 0.89 KCNA3 (0.36) KCNA3THRBMAPK1MAPTGAA
SCHEMBL22842881 0.85 KCNA3 (0.35) KCNA3THRBBRAFEPAS1RAB9A
SCHEMBL22842860 0.81 EPAS1 (0.36) KCNA3THRBEPAS1MAPK1LMNA
SCHEMBL22842858 0.80 KCNA3 (0.36) KCNA3THRBMAPK1MAPTGAA
SCHEMBL22842863 0.80 SLC22A12 (0.38) KCNA3BRAFEPAS1MAPK1LMNA
SCHEMBL22842867 0.78 EPAS1 (0.36) THRBPOLBEPAS1MAPK1LMNA
SCHEMBL22842865 0.75 THRB (0.36) KCNA3THRBMAPK1LMNAMAPT
SCHEMBL22842870 0.75 THRB (0.36) KCNA3THRBEPAS1MAPK1GAA
SCHEMBL29561799 0.74 LMNA (0.35) THRBPOLBLMNAMAPTMEN1
SCHEMBL22842921 0.74 EPAS1 (0.38) KCNA3POLBEPAS1MAPK1LMNA

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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