SCHEMBL22201444

SCHEMBL22201444

CC(C)(C)OC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.55
▸ TGFBR1 P36897 1/20 0.51
▸ ROCK1 Q13464 3/20 0.49
▸ CSNK2A1 P68400 2/20 0.49
▸ STK3 Q13188 2/20 0.49
▸ AURKB Q96GD4 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ STK17A Q9UEE5 2/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ BLK P51451 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ GRM5 P41594 2/20 0.44
▸ GRM1 Q13255 2/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ PLK4 O00444 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ CHEK2 O96017 1/20 0.41

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
SCHEMBL22201265 0.88 PRKD1 (0.53) ROCK2TGFBR1ABCG2GRM5GRM1
SCHEMBL22201445 0.80 ROCK2 (0.51) ROCK2TGFBR1ROCK1CSNK2A1STK3
SCHEMBL5005160 0.79 CDK9 (0.49) —
SCHEMBL31471912 0.79 CDK7 (0.57) AURKBCDK2PAK1
SCHEMBL31110487 0.77 NAMPT (0.50) GRM5GRM1NAMPT
SCHEMBL9952896 0.77 NAMPT (0.50) GRM5GRM1NAMPT
SCHEMBL5661370 0.76 CDK9 (0.56) —
SCHEMBL5001788 0.75 CDK9 (0.48) ROCK2ROCK1GRM5GRM1NAMPT
SCHEMBL14520516 0.75 CDK9 (0.48) ROCK2ROCK1NAMPT
SCHEMBL1728902 0.75 ROCK2 (0.64) ROCK2ROCK1CSNK2A1STK3AURKB

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 — — WO disclosed
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