SCHEMBL22201268

SCHEMBL22201268

c1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3ccncc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.51
MKNK1 Q9BUB5 2/20 0.49
PRKCH P24723 1/20 0.48
PRKCE Q02156 1/20 0.48
CLK1 P49759 1/20 0.48
EGFR P00533 2/20 0.47
FLT1 P17948 1/20 0.47
ROCK2 O75116 7/20 0.46
FGFR2 P21802 1/20 0.45
FLT3 P36888 1/20 0.45
ROCK1 Q13464 3/20 0.45
PIK3CA P42336 1/20 0.45
PKN2 Q16513 1/20 0.44
PAK4 O96013 1/20 0.44
GRM4 Q14833 1/20 0.44
MAPKAPK2 P49137 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
SCHEMBL22201655 0.91 PRKCH (0.48) TGFBR1MKNK1PRKCHPRKCEROCK2
SCHEMBL22201257 0.83 FGFR2 (0.62) TGFBR1PRKCHPRKCEEGFRFLT1
SCHEMBL22201261 0.81 ACP1 (0.54) TGFBR1CLK1EGFRFLT1ROCK2
SCHEMBL1642794 0.78 FGFR2 (0.72) MKNK1CLK1EGFRFLT1ROCK2
SCHEMBL22201393 0.78 ABCG2 (0.55) TGFBR1MKNK1ROCK2
SCHEMBL16941497 0.77 HPGD (0.65) TGFBR1PRKCHPRKCEROCK2ROCK1
SCHEMBL22201450 0.77 PRKCH (0.51) TGFBR1PRKCHPRKCEEGFRFGFR2
SCHEMBL22201282 0.76 HPGD (0.64) PRKCHPRKCEEGFR
SCHEMBL22201396 0.75 TGFBR1 (0.53) TGFBR1MKNK1CLK1ROCK2ROCK1
SCHEMBL8788878 0.74 CLK1 (0.58) MKNK1CLK1ROCK2ROCK1MAPKAPK2

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