SCHEMBL25523362

SCHEMBL25523362

CC(C)c1c(O)cc(-c2cnc3c(F)cc(N)cc3c2)cc1O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VRK1 Q99986 2/20 0.35
▸ 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
▸ KDM4E B2RXH2 2/20 0.32
▸ GRIN2B Q13224 1/20 0.31
▸ DHFR P00374 1/20 0.30

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
SCHEMBL25523838 0.87 KDM4E (0.35) VRK1JAK2JAK1TYK2KDR
SCHEMBL25521675 0.77 ABCG2 (0.42) VRK1KDRKDM4EGRIN2B
SCHEMBL25526984 0.74 HRH4 (0.36) —
SCHEMBL25523414 0.73 KDM4E (0.51) KDM4E
SCHEMBL25522207 0.73 ABCG2 (0.40) VRK1KDM4EGRIN2B
SCHEMBL25522440 0.72 FEN1 (0.37) VRK1
SCHEMBL25523416 0.71 PDGFRB (0.43) KDM4EGRIN2B
SCHEMBL25520063 0.70 KDM4E (0.46) KDM4E
SCHEMBL25522331 0.69 L3MBTL1 (0.50) KDM4E
SCHEMBL31538928 0.68 PDGFRB (0.51) KDM4E

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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