SCHEMBL26125689

SCHEMBL26125689

O=C(O)N1CCO[C@H](COc2cc(-c3cc(C(F)F)cs3)cc3ncccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SYK P43405 8/20 0.38
▸ PDK1 Q15118 2/20 0.37
▸ EPHA2 P29317 5/20 0.37
▸ KDR P35968 4/20 0.37
▸ EPHB4 P54760 3/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ DRD4 P21917 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
SCHEMBL30613657 0.90 EPHA2 (0.46) IRAK4SYKEPHA2KDREPHB4
SCHEMBL26130272 0.87 SYK (0.40) IRAK4SYKPDK1EPHA2KDR
SCHEMBL26135698 0.82 EPHA2 (0.40) IRAK4SYKPDK1EPHA2KDR
SCHEMBL31676073 0.80 IRAK4 (0.43) IRAK4SYKEPHA2
SCHEMBL26128976 0.79 DRD4 (0.46) IRAK4PDK1EPHA2KDREPHB4
SCHEMBL30613693 0.77 EPHA2 (0.46) IRAK4SYKEPHA2EPHB4
SCHEMBL26129013 0.76 SYK (0.41) IRAK4SYKPDK1EPHA2
SCHEMBL26136052 0.74 IRAK4 (0.41) IRAK4SYKPDK1EPHA2KDR
SCHEMBL26135462 0.74 IRAK4 (0.41) IRAK4SYKPDK1EPHA2KDR
SCHEMBL30613661 0.73 EPHA2 (0.48) IRAK4SYKEPHA2KDREPHB4

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-2023193054-A1 SPLEEN TYROSINE KINASE INHIBITORS UNIQUEST PTY LTD (AU) 2023-10-12 — — WO disclosed
Send feedback