SCHEMBL29638487

SCHEMBL29638487

COC(=O)c1cc(N2CCOCC2)cc2c(NCc3ccc(OC)cc3OC)ncnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.49
RPS6KB1 P23443 3/20 0.49
PDE4B Q07343 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 10/20 0.47
CYP1A2 P05177 9/20 0.47
CYP3A4 P08684 9/20 0.47
CYP2C19 P33261 9/20 0.47
CLK4 Q9HAZ1 9/20 0.47
CYP2D6 P10635 8/20 0.47
HSD17B10 Q99714 7/20 0.47
USP2 O75604 7/20 0.47
TSHR P16473 6/20 0.47
LMNA P02545 6/20 0.47
MAPK1 P28482 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP2C9 P11712 4/20 0.46
ALOX15 P16050 2/20 0.46

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
SCHEMBL25374488 1.00 AURKA (0.49) AURKARPS6KB1PDE4BMAPTALDH1A1
SCHEMBL25375327 0.93 AURKA (0.49) AURKARPS6KB1PDE4BMAPTALDH1A1
SCHEMBL24399604 0.91 AURKA (0.50) AURKARPS6KB1MAPTALDH1A1CYP1A2
SCHEMBL25375789 0.84 AURKA (0.55) AURKARPS6KB1MAPTALDH1A1CYP1A2
SCHEMBL25376065 0.84 AURKA (0.50) AURKARPS6KB1MAPTALDH1A1CYP1A2
SCHEMBL24399596 0.83 AURKA (0.56) AURKARPS6KB1MAPTALDH1A1CYP1A2
SCHEMBL24399559 0.82 AURKA (0.55) AURKARPS6KB1MAPTALDH1A1CYP1A2
SCHEMBL30401990 0.82 AURKA (0.55) AURKARPS6KB1MAPTALDH1A1CYP1A2
SCHEMBL24399745 0.80 AURKA (0.71) AURKARPS6KB1MAPTALDH1A1CYP1A2
SCHEMBL1460973 0.77 MAPT (0.64) AURKARPS6KB1MAPTALDH1A1CYP1A2

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-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed