SCHEMBL22201650

SCHEMBL22201650

c1ccc2c(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.56
PIK3CD O00329 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
SYK P43405 1/20 0.48
BTK Q06187 1/20 0.48
ROCK2 O75116 3/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
GRM4 Q14833 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
TGFBR1 P36897 1/20 0.46
PLK4 O00444 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL22201290 0.82 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL27595864 0.77 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL3580875 0.77 ROCK2 (0.53) PIK3CAROCK2GRM4TGFBR1ROCK1
SCHEMBL2469890 0.73 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL22201268 0.72 TGFBR1 (0.51) PIK3CAROCK2MKNK1GRM4TGFBR1
SCHEMBL1821372 0.71 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1822731 0.71 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1311233 0.71 GRIA1 (0.52) PIK3CAPIK3CDPIK3CGROCK2ROCK1
SCHEMBL20784048 0.71 ROCK2 (0.78) PIK3CAROCK2ROCK1
SCHEMBL22201371 0.71 ROCK2 (0.68) ROCK2HTR2ATGFBR1ROCK1

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