SCHEMBL22201371

SCHEMBL22201371

c1ccc2c(Nc3ccc4[nH]ncc4c3)nc(N3CCNCC3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.68
ROCK1 Q13464 7/20 0.65
HTR2A P28223 4/20 0.65
PKN1 Q16512 1/20 0.55
PKN2 Q16513 1/20 0.55
TGFBR1 P36897 1/20 0.55

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
SCHEMBL20774821 0.96 ROCK2 (0.71) ROCK2ROCK1HTR2APKN1PKN2
SCHEMBL30611459 0.96 ROCK2 (0.71) ROCK2ROCK1HTR2APKN1PKN2
SCHEMBL22201290 0.89 PIK3CA (0.65) ROCK2HTR2ATGFBR1
SCHEMBL3580823 0.89 ROCK2 (0.64) ROCK2ROCK1HTR2ATGFBR1
SCHEMBL3576178 0.86 ROCK2 (0.61) ROCK2ROCK1HTR2ATGFBR1
SCHEMBL3582369 0.84 HTR2A (0.67) ROCK2ROCK1HTR2ATGFBR1
SCHEMBL3579466 0.81 ROCK2 (0.56) ROCK2ROCK1HTR2ATGFBR1
SCHEMBL20774632 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL30611383 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL22126148 0.81 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