SCHEMBL22201445

SCHEMBL22201445

CC(C)(C)OC(=O)N1CCC(c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.51
▸ TGFBR1 P36897 1/20 0.47
▸ ULK1 O75385 1/20 0.46
▸ ROCK1 Q13464 3/20 0.46
▸ CLK2 P49760 1/20 0.45
▸ BLK P51451 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ STK3 Q13188 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43

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
SCHEMBL3582360 0.82 ROCK2 (0.64) ROCK2TGFBR1ULK1ROCK1CLK2
SCHEMBL22201444 0.80 ROCK2 (0.55) ROCK2TGFBR1ROCK1CLK2BLK
SCHEMBL22201378 0.79 ROCK2 (0.62) ROCK2TGFBR1ULK1ROCK1
SCHEMBL13994060 0.78 MKNK1 (0.48) ROCK2CYP3A4
SCHEMBL312320 0.77 ROCK2 (0.68) ROCK2ROCK1CYP3A4
SCHEMBL1728902 0.77 ROCK2 (0.64) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3793015 0.77 ROCK2 (0.64) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL1728904 0.77 ROCK2 (0.64) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL9952336 0.76 FASN (0.52) ROCK2CYP3A4IDO1TDO2
SCHEMBL14514349 0.74 ROCK2 (0.63) ROCK2ROCK1CYP3A4

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
Send feedback