SCHEMBL26644971

SCHEMBL26644971

C=CC(=O)N1CCn2nc(Nc3ccc(Cl)cc3F)c(-c3ccncc3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.42
▸ CSNK1E P49674 7/20 0.39
▸ CSNK1D P48730 6/20 0.39
▸ NUDT1 P36639 1/20 0.38
▸ TRPC3 Q13507 1/20 0.37
▸ TRPC6 Q9Y210 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ERBB2 P04626 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL26645524 0.84 MKNK1 (0.52) CSNK1ECSNK1DNUDT1TRPC3TRPC6
SCHEMBL26644832 0.83 CSNK1E (0.40) EGFRCSNK1ECSNK1DGRM5
SCHEMBL26644851 0.82 CSNK1E (0.41) EGFRCSNK1ECSNK1D
SCHEMBL30622308 0.82 CSNK1E (0.41) EGFRCSNK1ECSNK1D
SCHEMBL26645459 0.82 CSNK1E (0.41) EGFRCSNK1ECSNK1D
SCHEMBL30622362 0.80 JAK3 (0.43) EGFRTRPC3TRPC6ERBB2MKNK1
SCHEMBL26644953 0.79 BTK (0.40) EGFRCSNK1ECSNK1DGRM5ERBB2
SCHEMBL30622390 0.79 CSNK1E (0.41) EGFRCSNK1E
SCHEMBL26644937 0.78 CSNK1D (0.43) EGFRCSNK1ECSNK1DKDR
SCHEMBL26644818 0.78 CREBBP (0.43) EGFRCSNK1ECSNK1DERBB2

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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