SCHEMBL22842880

SCHEMBL22842880

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CISD2 Q8N5K1 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL22842864 0.89 KCNA3 (0.34) KCNA3THRBMAPTGAAMAPK1
SCHEMBL22842858 0.86 KCNA3 (0.36) KCNA3THRBKDM4EMAPTCRHBP
SCHEMBL22842865 0.81 THRB (0.36) KCNA3THRBMAPTGAAMAPK1
SCHEMBL22842870 0.81 THRB (0.36) KCNA3THRBGAAMAPK1CISD2
SCHEMBL22842867 0.79 EPAS1 (0.36) THRBMAPTGAAMAPK1CYP3A4
SCHEMBL22842881 0.79 KCNA3 (0.35) KCNA3THRBKDM4ECISD2PKM
SCHEMBL22842857 0.76 RPS6KA1 (0.35) THRBKDM4EMAPTCRHBPCRHR2
SCHEMBL22842883 0.76 EPAS1 (0.37) KCNA3THRBKDM4EMAPTGAA
SCHEMBL22842863 0.75 SLC22A12 (0.38) KCNA3MAPTMAPK1PKMRXFP1
SCHEMBL22842859 0.73 SCN8A (0.36) KCNA3GAAMAPK1PKMRXFP1

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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