SCHEMBL25523900

SCHEMBL25523900

CC(C)c1ncc(-c2ccc3nccc(F)c3c2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.39
▸ BRAF P15056 3/20 0.39
▸ DYRK1A Q13627 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ TNF P01375 4/20 0.36
▸ MAPK10 P53779 1/20 0.35
▸ MAPKAPK2 P49137 2/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ PIK3CA P42336 4/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ SLC22A12 Q96S37 2/20 0.34
▸ RPS6KA3 P51812 1/20 0.34

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
SCHEMBL25521410 0.83 RAF1 (0.41) RAF1BRAFMAPKAPK2PIK3CASLC22A12
SCHEMBL25523956 0.82 MAPKAPK2 (0.44) RAF1BRAFTNFMAPKAPK2
SCHEMBL25524046 0.81 TGFBR1 (0.44) TNFMAPK10MAPKAPK2PIK3CA
SCHEMBL25522057 0.81 TGFBR1 (0.40) PIK3CA
SCHEMBL25521800 0.80 AAK1 (0.47) —
SCHEMBL25524005 0.78 TLR8 (0.41) PDGFRBPDGFRA
SCHEMBL25522059 0.77 MAP4K4 (0.54) —
SCHEMBL25524007 0.75 PDGFRB (0.40) PDGFRBPDGFRAMAPK10CLK4PIK3CA
SCHEMBL25522043 0.74 VRK1 (0.36) RPS6KA3
SCHEMBL25523902 0.73 TNIK (0.45) DYRK1APDGFRBPDGFRACLK2CLK4

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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