SCHEMBL22201290

SCHEMBL22201290

c1ccc2c(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.65
HTR2A P28223 3/20 0.65
ROCK2 O75116 4/20 0.64
HTR2C P28335 1/20 0.57
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
TGFBR1 P36897 1/20 0.54
PDE5A O76074 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL22201371 0.89 ROCK2 (0.68) HTR2AROCK2TGFBR1
SCHEMBL3580823 0.88 ROCK2 (0.64) PIK3CAHTR2AROCK2HTR2CTGFBR1
SCHEMBL20774821 0.85 ROCK2 (0.71) HTR2AROCK2TGFBR1
SCHEMBL3576178 0.85 ROCK2 (0.61) PIK3CAHTR2AROCK2HTR2CTGFBR1
SCHEMBL30611459 0.85 ROCK2 (0.71) HTR2AROCK2TGFBR1
SCHEMBL3582369 0.83 HTR2A (0.67) HTR2AROCK2HTR2CTGFBR1MAPT
SCHEMBL3579466 0.82 ROCK2 (0.56) HTR2AROCK2HTR2CTGFBR1
SCHEMBL22201650 0.82 PIK3CA (0.56) PIK3CAHTR2AROCK2HTR2CPIK3CD
SCHEMBL3580875 0.82 ROCK2 (0.53) PIK3CAROCK2TGFBR1
SCHEMBL1822731 0.80 PIK3CA (0.63) PIK3CAHTR2AROCK2HTR2CPIK3CD

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