SCHEMBL22201274

SCHEMBL22201274

c1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3cncs3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.63
ROCK2 O75116 13/20 0.57
ROCK1 Q13464 4/20 0.53
PAK4 O96013 1/20 0.50
CLK2 P49760 1/20 0.50
BLK P51451 1/20 0.50
CSNK2A1 P68400 1/20 0.50
STK3 Q13188 1/20 0.50
DYRK1A Q13627 1/20 0.50
AURKB Q96GD4 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
STK17A Q9UEE5 1/20 0.50
PKN2 Q16513 1/20 0.50
EGFR P00533 1/20 0.48
FLT1 P17948 1/20 0.48
ULK1 O75385 1/20 0.47
PDE5A O76074 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL22201300 0.92 TGFBR1 (0.52) TGFBR1ROCK2ROCK1PKN2PDE5A
SCHEMBL3587471 0.86 PDE5A (0.65) TGFBR1ROCK2ROCK1EGFRFLT1
SCHEMBL22201251 0.86 MKNK1 (0.47) TGFBR1ROCK2ROCK1EGFRFLT1
SCHEMBL22201263 0.85 TGFBR1 (0.61) TGFBR1CSNK2A1EGFRFLT1PDE5A
SCHEMBL3587569 0.84 TGFBR1 (0.69) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL13154697 0.83 TGFBR1 (0.71) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL29395013 0.83 TGFBR1 (0.71) TGFBR1ROCK2ROCK1CLK2BLK
SCHEMBL3584767 0.82 KDM1A (0.62) TGFBR1ROCK2ROCK1PAK4CLK2
SCHEMBL22201253 0.82 PDE5A (0.47) TGFBR1PDE5AABCG2
SCHEMBL3578585 0.81 TGFBR1 (0.65) TGFBR1ROCK2ROCK1CLK2BLK

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