SCHEMBL30622871

SCHEMBL30622871

COc1ccc(-c2nn3c(c2-c2ccncc2)CN(C(=O)OC(C)(C)C)[C@H](C)C3)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 7/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ PRKG1 Q13976 4/20 0.34
▸ ROCK2 O75116 3/20 0.34
▸ BTK Q06187 1/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33

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
SCHEMBL30622938 0.89 RIPK3 (0.37) GHSRUSP30MAP4K4PRKACA
SCHEMBL26645141 0.89 RIPK3 (0.37) GHSRUSP30MAP4K4PRKACA
SCHEMBL30622909 0.89 RIPK3 (0.37) GHSRUSP30MAP4K4PRKACA
SCHEMBL26645448 0.89 CPS1 (0.42) CPS1PRKG1ROCK2PTGIRPTGDR
SCHEMBL30622778 0.89 NR1H2 (0.37) GHSRUSP30GPR119
SCHEMBL30622868 0.87 SRC (0.38) BTKUSP30BRAFGPR119
SCHEMBL26645050 0.86 EGFR (0.40) CPS1PRKG1ROCK2BTK
SCHEMBL30622363 0.86 EGFR (0.40) CPS1PRKG1ROCK2BTK
SCHEMBL26645327 0.84 CSNK1E (0.41) CPS1JAK2JAK3PTK2BTK
SCHEMBL30622834 0.80 MAPK8 (0.36) USP30GSK3BGPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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