SCHEMBL25520074

SCHEMBL25520074

CC(C)c1c(O)cc(-c2cc(F)c3cnc(N)nc3c2)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ P2RX3 P56373 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ TEK Q02763 1/20 0.33
▸ JAK2 O60674 6/20 0.32
▸ JAK1 P23458 6/20 0.32
▸ TYK2 P29597 6/20 0.32
▸ KDR P35968 6/20 0.32
▸ JAK3 P52333 6/20 0.32
▸ AURKB Q96GD4 6/20 0.32
▸ VRK1 Q99986 1/20 0.32
▸ ALOX5AP P20292 3/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RICTOR Q6R327 1/20 0.31
▸ RPTOR Q8N122 1/20 0.31
▸ MAPKAP1 Q9BPZ7 1/20 0.31
▸ MLST8 Q9BVC4 1/20 0.31

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
SCHEMBL25522341 0.96 RPS6KA3 (0.36) RPS6KA3DHFRP2RX3P2RX2TEK
SCHEMBL25522055 0.86 VRK1 (0.35) RPS6KA3DHFRP2RX3P2RX2TEK
SCHEMBL27033266 0.85 JAK2 (0.33) P2RX3P2RX2JAK2JAK1TYK2
SCHEMBL31538918 0.85 JAK2 (0.33) P2RX3P2RX2JAK2JAK1TYK2
SCHEMBL30726167 0.85 JAK2 (0.33) P2RX3P2RX2JAK2JAK1TYK2
SCHEMBL27033288 0.85 JAK2 (0.33) P2RX3P2RX2JAK2JAK1TYK2
SCHEMBL25522438 0.80 CYBB (0.34) ALOX5APFEN1
SCHEMBL25522440 0.80 FEN1 (0.37) VRK1ALOX5APFEN1
SCHEMBL27033324 0.79 INPPL1 (0.34) P2RX3P2RX2JAK2JAK1TYK2
SCHEMBL25522435 0.79 RPS6KA3 (0.34) RPS6KA3DHFRTEKJAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020170-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-01-25 — — WO disclosed
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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