SCHEMBL22842883

SCHEMBL22842883

CC(=O)c1c(C)ccc(Oc2c(F)ccc(N)c2C#N)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 4/20 0.37
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BRAF P15056 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ SLC22A12 Q96S37 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ PLA2G7 Q13093 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ HTT P42858 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
SCHEMBL22842858 0.84 KCNA3 (0.36) MAPTKDM4EKCNA3GAATHRB
SCHEMBL22842881 0.82 KCNA3 (0.35) EPAS1KDM4EALDH1A1BRAFKCNA3
SCHEMBL22842882 0.80 ALDH1A1 (0.44) EPAS1MAPTLMNAKDM4EALDH1A1
SCHEMBL22842890 0.77 BRAF (0.60) BRAF
SCHEMBL24753392 0.77 CYP1A2 (0.38) LMNAALDH1A1BRAFGAAGFER
SCHEMBL22842863 0.76 SLC22A12 (0.38) EPAS1MAPTLMNABRAFKCNA3
SCHEMBL22842880 0.76 KCNA3 (0.36) MAPTKDM4EKCNA3GAATHRB
SCHEMBL22842864 0.73 KCNA3 (0.34) EPAS1MAPTLMNAALDH1A1BRAF
SCHEMBL22842857 0.70 RPS6KA1 (0.35) MAPTKDM4EKMT2ATHRB
SCHEMBL22842867 0.70 EPAS1 (0.36) EPAS1MAPTLMNAALDH1A1HPGD

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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