SCHEMBL30622762

SCHEMBL30622762

Cc1c[nH]c2nccc(-c3c(Br)nn4c3CN(C(=O)OC(C)(C)C)[C@@H](C)C4)c12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIMK2 P53671 12/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ BTK Q06187 2/20 0.34
▸ JAK3 P52333 2/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL26645374 0.88 LIMK2 (0.40) LIMK2ROCK2LIMK1ROCK1JAK3
SCHEMBL30622780 0.86 CDK9 (0.34) LIMK2ROCK2LIMK1ROCK1BTK
SCHEMBL30623097 0.84 TRPV1 (0.33) LIMK2ROCK2LIMK1ROCK1BTK
SCHEMBL30623079 0.84 TRPV1 (0.33) LIMK2ROCK2LIMK1ROCK1BTK
SCHEMBL30622787 0.84 BTK (0.40) LIMK2BTKJAK3HTR2ACCNK
SCHEMBL26645177 0.84 BTK (0.40) LIMK2BTKJAK3HTR2ACCNK
SCHEMBL26645802 0.76 USP30 (0.39) —
SCHEMBL30622869 0.76 USP30 (0.39) —
SCHEMBL30622743 0.76 USP30 (0.39) —
SCHEMBL30622918 0.75 CDK9 (0.39) BTKCCNKCDK12

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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