SCHEMBL30404376

SCHEMBL30404376

COC[C@H]1C[C@H](n2cc(I)c3c(N)ncnc32)CN1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 0.63
▸ ADK P55263 2/20 0.48
▸ EGFR P00533 1/20 0.46

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
SCHEMBL26789846 1.00 SRC (0.63) SRCADKEGFR
SCHEMBL26791254 0.90 SRC (0.64) SRCEGFR
SCHEMBL30403393 0.89 SRC (0.52) SRCADK
SCHEMBL26789849 0.89 SRC (0.52) SRCADK
SCHEMBL31463180 0.86 SRC (0.58) SRCEGFR
SCHEMBL30035929 0.86 SRC (0.58) SRCEGFR
SCHEMBL15345656 0.85 SRC (0.63) SRCEGFR
SCHEMBL15345657 0.85 SRC (0.63) SRCEGFR
SCHEMBL26789839 0.85 ADK (0.48) SRCADK
SCHEMBL26806680 0.85 ADK (0.48) SRCADK

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-116096707-A Inhibitors of fibroblast growth factor receptor kinase 金耐特生物制药公司 2023-05-09 — — CN disclosed
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