SCHEMBL22201435

SCHEMBL22201435

CCCc1n[nH]c2ccc(Nc3nc(C4CCNCC4)nc4ccccc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.46
▸ ULK1 O75385 5/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ OGG1 O15527 1/20 0.37
▸ HTR2A P28223 3/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ ULK2 Q8IYT8 1/20 0.35
▸ PAK4 O96013 2/20 0.35
▸ AXL P30530 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL22201378 0.78 ROCK2 (0.62) PDE5AULK1ROCK2TGFBR1PAK4
SCHEMBL3575009 0.72 GRM4 (0.45) PDE5AGRM4TGFBR1
SCHEMBL13316097 0.72 ABCG2 (0.55) PDE5AGSK3AGSK3B
SCHEMBL3582360 0.71 ROCK2 (0.64) PDE5AULK1ROCK2OGG1TGFBR1
SCHEMBL3580233 0.67 ABCG2 (0.63) PDE5A
SCHEMBL16404477 0.65 PDE5A (0.66) PDE5A
SCHEMBL14262834 0.64 PDE5A (0.72) PDE5AOGG1TGFBR1
SCHEMBL3347649 0.64 KDM4E (0.48) GRM4
SCHEMBL786840 0.63 PDE5A (0.62) PDE5AOGG1LPAR2GSK3AGSK3B
SCHEMBL14262923 0.62 PDE5A (0.82) PDE5AOGG1TGFBR1

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
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