SCHEMBL20828451

SCHEMBL20828451

CN(C)Cc1ccc(C(=O)Nc2ccc(-c3nnc(COc4cccc(C(F)(F)F)c4)n3C)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ F10 P00742 3/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ WNT1 P04628 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ MTTP P55157 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ GRK2 P25098 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ DEGS1 O15121 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ LSS P48449 1/20 0.38

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
SCHEMBL20828481 0.82 FFAR1 (0.45) BRAFRAF1MAPK14RAB9AROCK2
SCHEMBL20828440 0.82 MAOA (0.42) GSK3BDYRK1AROCK2GRK2PPARG
SCHEMBL20828420 0.81 DGAT1 (0.47) DYRK1ARAB9AROCK2SLC2A1
SCHEMBL20828341 0.79 DGAT1 (0.48) RAB9AROCK2SLC2A1
SCHEMBL20828340 0.78 BRAF (0.46) BRAFRAF1MAPK14ROCK2GRK2
SCHEMBL20820816 0.77 HIF1A (0.45) RAB9AROCK2GRK2
SCHEMBL20828417 0.76 ROCK2 (0.46) MAPK14RAB9AROCK2SLC2A1
SCHEMBL22227863 0.76 PPARG (0.48) ROCK2GRK2PPARG
SCHEMBL20828519 0.76 SLC6A5 (0.51) RAB9APPARG
SCHEMBL20828450 0.75 L3MBTL1 (0.47) RAB9APPARG

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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