SCHEMBL22201606

SCHEMBL22201606

Cc1cnccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.66
ROCK2 O75116 11/20 0.62
CLK4 Q9HAZ1 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ROCK1 Q13464 2/20 0.51
CLK2 P49760 1/20 0.51
BLK P51451 1/20 0.51
CSNK2A1 P68400 1/20 0.51
STK3 Q13188 1/20 0.51
DYRK1A Q13627 1/20 0.51
AURKB Q96GD4 1/20 0.51
STK17A Q9UEE5 1/20 0.51
PAK4 O96013 2/20 0.49
ULK1 O75385 1/20 0.48
PRKD1 Q15139 1/20 0.48

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
SCHEMBL22201315 0.87 TGFBR1 (0.70) TGFBR1ROCK2CLK4ROCK1CLK2
SCHEMBL3574349 0.82 TGFBR1 (0.69) TGFBR1ROCK2CLK4ROCK1CLK2
SCHEMBL29395013 0.82 TGFBR1 (0.71) TGFBR1ROCK2CLK4LMNAROCK1
SCHEMBL13154697 0.82 TGFBR1 (0.71) TGFBR1ROCK2CLK4LMNAROCK1
SCHEMBL11920094 0.82 ROCK2 (0.75) TGFBR1ROCK2CLK4LMNAROCK1
SCHEMBL3586914 0.81 TGFBR1 (0.71) TGFBR1ROCK2CLK4ALDH1A1LMNA
SCHEMBL11920216 0.81 ROCK2 (0.69) TGFBR1ROCK2CLK4ROCK1CLK2
SCHEMBL22201667 0.81 ABCG2 (0.67) CLK4ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3578259 0.81 ROCK2 (0.78) TGFBR1ROCK2CLK4ALDH1A1LMNA
SCHEMBL3585107 0.81 TGFBR1 (0.69) TGFBR1ROCK2CLK4ROCK1CLK2

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