SCHEMBL31335340

SCHEMBL31335340

C[C@@H](Oc1cc(Br)cc2ncccc12)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.50
▸ EPHA2 P29317 4/20 0.43
▸ ERBB2 P04626 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ DTYMK P23919 1/20 0.36

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
SCHEMBL30613676 1.00 SYK (0.50) SYKEPHA2ERBB2EPHB4FLT3
SCHEMBL30613606 0.85 SYK (0.46) SYKFLT3AURKB
SCHEMBL31335120 0.84 SYK (0.52) SYKFLT3AURKB
SCHEMBL30613604 0.84 SYK (0.52) SYKFLT3AURKB
SCHEMBL30613640 0.84 SYK (0.52) SYKFLT3AURKB
SCHEMBL31335112 0.84 SYK (0.52) SYKFLT3AURKB
SCHEMBL15774886 0.72 MALT1 (0.36) EPHA2ERBB2EPHB4POLB
SCHEMBL15775171 0.72 MALT1 (0.36) EPHA2ERBB2EPHB4POLB
SCHEMBL30613703 0.72 EPHA2 (0.58) EPHA2ERBB2EPHB4POLB
SCHEMBL15774924 0.72 MALT1 (0.36) EPHA2ERBB2EPHB4POLB

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
CN-119325474-A Spleen tyrosine kinase inhibitors 尤尼奎斯特公司 2025-01-17 — — CN disclosed
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