SCHEMBL25524007

SCHEMBL25524007

CC(C)c1ncc(-c2cnc3cccc(O)c3c2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 4/20 0.40
▸ PDGFRA P16234 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ MAPK10 P53779 5/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ MAP4K5 Q9Y4K4 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ MDM4 O15151 1/20 0.33

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
SCHEMBL25523536 0.87 PDGFRB (0.39) PDGFRBPDGFRAKDM4EIDO1TDO2
SCHEMBL25524104 0.82 PDGFRB (0.51) PDGFRBPDGFRAKDM4EMAP4K4CSNK1G2
SCHEMBL25521916 0.79 ERN1 (0.46) MAPK10ERN1CA1CA2CA9
SCHEMBL30873746 0.79 KDM4E (0.56) PDGFRBPDGFRAKDM4EIDO1TDO2
SCHEMBL28723760 0.79 KDM4E (0.56) PDGFRBPDGFRAKDM4EIDO1TDO2
SCHEMBL25522058 0.77 ADORA2A (0.50) ERN1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL25523900 0.75 RAF1 (0.39) PDGFRBPDGFRAMAPK10CLK4PIK3CA
SCHEMBL25522059 0.75 MAP4K4 (0.54) MAP4K4
SCHEMBL25523902 0.74 TNIK (0.45) PDGFRBPDGFRAMAP4K4CLK4EGFR
SCHEMBL25522194 0.74 AR (0.50) KDM4EIDO1TDO2ALDH1A1TP53

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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