SCHEMBL22201378

SCHEMBL22201378

c1ccc2c(Nc3ccc4[nH]ncc4c3)nc(C3CCNCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 14/20 0.62
▸ ULK1 O75385 1/20 0.56
▸ TGFBR1 P36897 1/20 0.55
▸ PDE5A O76074 1/20 0.52
▸ PAK4 O96013 2/20 0.50
▸ ROCK1 Q13464 4/20 0.47
▸ 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
SCHEMBL3582360 0.94 ROCK2 (0.64) ROCK2ULK1TGFBR1PDE5APAK4
SCHEMBL22201371 0.79 ROCK2 (0.68) ROCK2TGFBR1ROCK1
SCHEMBL22201445 0.79 ROCK2 (0.51) ROCK2ULK1TGFBR1ROCK1
SCHEMBL22201435 0.78 PDE5A (0.46) ROCK2ULK1TGFBR1PDE5APAK4
SCHEMBL7091416 0.78 TGFBR1 (0.63) ROCK2ULK1TGFBR1PAK4ROCK1
SCHEMBL3586643 0.78 TGFBR1 (0.63) ROCK2ULK1TGFBR1PAK4ROCK1
SCHEMBL29445613 0.78 TGFBR1 (0.63) ROCK2ULK1TGFBR1PAK4ROCK1
SCHEMBL3585107 0.78 TGFBR1 (0.69) ROCK2ULK1TGFBR1PAK4ROCK1
SCHEMBL22126148 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL30611475 0.77 ROCK2 (1.00) ROCK2ROCK1

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