SCHEMBL22306187

SCHEMBL22306187

Cn1ccc(C(=O)NCC(=O)Nc2cccc(-c3cccc(-c4ccncc4)c3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.41
▸ ROCK2 O75116 3/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ROCK1 Q13464 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL22290407 0.87 SMARCA2 (0.44) AURKAROCK2BLMGRM5WDR5
SCHEMBL22290647 0.85 PARP1 (0.47) ROCK2ROCK1CYP3A4PRKACA
SCHEMBL31173242 0.85 PARP1 (0.47) ROCK2ROCK1CYP3A4PRKACA
SCHEMBL22290558 0.81 BLM (0.46) AURKAABL1BLMGRM5KMT2A
SCHEMBL22306016 0.79 SMARCA2 (0.43) AURKAROCK2BLMGRM5WDR5
SCHEMBL25498927 0.78 AURKA (0.41) AURKAROCK2GRM5L3MBTL1ROCK1
SCHEMBL30316038 0.77 SCN9A (0.45) ABL1BLMIRAK4
SCHEMBL22306010 0.77 SCN9A (0.45) ABL1BLMIRAK4
SCHEMBL22306576 0.76 ROCK1 (0.47) ROCK2ROCK1CYP3A4PRKACAGSK3B
SCHEMBL22305714 0.76 WNT3A (0.45) ABL1KMT2AROCK1CYP3A4

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-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
Send feedback