SCHEMBL26135698

SCHEMBL26135698

CC(C)(C)c1ccc(-c2cc(OC[C@@H]3CN(C(=O)O)CCO3)c3cccnc3c2)s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 11/20 0.40
▸ SYK P43405 6/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ KDR P35968 6/20 0.38
▸ EPHB4 P54760 5/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ ERBB2 P04626 1/20 0.38

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
SCHEMBL30613668 0.91 EPHA2 (0.48) EPHA2SYKIRAK4KDREPHB4
SCHEMBL30613661 0.91 EPHA2 (0.48) EPHA2SYKIRAK4KDREPHB4
SCHEMBL26125689 0.82 IRAK4 (0.39) EPHA2SYKIRAK4KDREPHB4
SCHEMBL26128976 0.80 DRD4 (0.46) EPHA2IRAK4KDREPHB4PDK1
SCHEMBL31676480 0.80 SYK (0.45) EPHA2SYKIRAK4
SCHEMBL26130272 0.78 SYK (0.40) EPHA2SYKIRAK4KDREPHB4
SCHEMBL26129013 0.77 SYK (0.41) EPHA2SYKIRAK4PDK1
SCHEMBL30613657 0.76 EPHA2 (0.46) EPHA2SYKIRAK4KDREPHB4
SCHEMBL26135462 0.76 IRAK4 (0.41) EPHA2SYKIRAK4KDREPHB4
SCHEMBL26136052 0.76 IRAK4 (0.41) EPHA2SYKIRAK4KDREPHB4

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
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