SCHEMBL22201396

SCHEMBL22201396

c1cc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cnccc3n2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.53
LATS1 O95835 5/20 0.52
ROCK2 O75116 4/20 0.52
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
ROCK1 Q13464 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PDE5A O76074 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CLK1 P49759 1/20 0.48
ABCG2 Q9UNQ0 3/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL22201296 0.91 LATS1 (0.52) TGFBR1LATS1HPGDLMNAMAPT
SCHEMBL14320793 0.85 CLK1 (0.49) TGFBR1LATS1ROCK2HPGDLMNA
SCHEMBL6694913 0.85 LATS1 (0.57) TGFBR1LATS1ROCK2HPGDLMNA
SCHEMBL22201395 0.84 FGFR2 (0.55) TGFBR1LATS1HPGDLMNAMAPT
SCHEMBL13154697 0.82 TGFBR1 (0.71) TGFBR1ROCK2LMNAMAPTROCK1
SCHEMBL29395013 0.82 TGFBR1 (0.71) TGFBR1ROCK2LMNAMAPTROCK1
SCHEMBL22201393 0.82 ABCG2 (0.55) TGFBR1ROCK2MKNK1ABCG2
SCHEMBL22201442 0.81 HPGD (0.64) TGFBR1LATS1HPGDLMNAMAPT
SCHEMBL3587569 0.81 TGFBR1 (0.69) TGFBR1ROCK2ROCK1PDE5AABCG2
SCHEMBL7535210 0.80 EGFR (0.71) MKNK1

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