SCHEMBL25523838

SCHEMBL25523838

CC(C)c1ncc(-c2cnc3c(F)cc(N)cc3c2)cc1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 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
▸ VRK1 Q99986 2/20 0.32
▸ PARP1 P09874 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
SCHEMBL25523362 0.87 VRK1 (0.35) KDM4EJAK2JAK1TYK2KDR
SCHEMBL25524102 0.77 ABCG2 (0.47) KDM4EPARP1
SCHEMBL25521795 0.77 KDM4E (0.48) KDM4E
SCHEMBL25526984 0.74 HRH4 (0.36) —
SCHEMBL25522043 0.72 VRK1 (0.36) VRK1
SCHEMBL25523902 0.71 TNIK (0.45) —
SCHEMBL25522055 0.71 VRK1 (0.35) JAK2JAK1TYK2KDRJAK3
SCHEMBL25521932 0.70 KDM4E (0.49) KDM4EPARP1
SCHEMBL25522052 0.69 ABL1 (0.44) —
SCHEMBL25524104 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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