SCHEMBL30622393

SCHEMBL30622393

C=CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]cc(C)c34)c2C1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.41
▸ EGFR P00533 5/20 0.36
▸ KRAS P01116 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ LIMK1 P53667 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ BMX P51813 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 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
SCHEMBL26644972 1.00 JAK3 (0.41) JAK3EGFRKRASMAPK14ROCK2
SCHEMBL30622380 0.92 JAK3 (0.40) JAK3EGFRBMXBTKITK
SCHEMBL26645119 0.92 JAK3 (0.40) JAK3EGFRBMXBTKITK
SCHEMBL30622348 0.87 BTK (0.35) JAK3EGFRKRASROCK2LIMK1
SCHEMBL26644847 0.87 BTK (0.35) JAK3EGFRKRASROCK2LIMK1
SCHEMBL26645123 0.85 MAPK14 (0.46) JAK3EGFRMAPK14ROCK1BMX
SCHEMBL30622366 0.85 MAPK14 (0.46) JAK3EGFRMAPK14ROCK1BMX
SCHEMBL30622386 0.83 JAK3 (0.41) JAK3EGFRKRASMAPK14ROCK2
SCHEMBL30622303 0.83 JAK3 (0.41) JAK3EGFRKRASMAPK14ROCK2
SCHEMBL26645276 0.83 JAK3 (0.41) JAK3EGFRKRASMAPK14ROCK2

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

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