SCHEMBL26644982

SCHEMBL26644982

C=CC(=O)N1CCn2nc(-c3ccc(Cl)cc3)c(-c3ccnc4[nH]cc(C)c34)c2C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.45
▸ AKT1 P31749 2/20 0.36
▸ EGFR P00533 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ LIMK1 P53667 2/20 0.34
▸ BTK Q06187 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL30622345 1.00 JAK3 (0.45) JAK3AKT1EGFRROCK2LIMK1
SCHEMBL26644961 0.92 JAK3 (0.44) JAK3EGFRLIMK1LRRK2
SCHEMBL30622307 0.92 JAK3 (0.44) JAK3EGFRLIMK1LRRK2
SCHEMBL26644977 0.92 JAK3 (0.45) JAK3AKT1EGFRBTK
SCHEMBL30622428 0.92 JAK3 (0.45) JAK3AKT1EGFRBTK
SCHEMBL26644947 0.90 JAK3 (0.44) JAK3LIMK1BTK
SCHEMBL30622424 0.90 JAK3 (0.44) JAK3LIMK1BTK
SCHEMBL30622402 0.90 JAK3 (0.43) JAK3ROCK2LIMK1BTKROCK1
SCHEMBL26644957 0.90 JAK3 (0.43) JAK3ROCK2LIMK1BTKROCK1
SCHEMBL30622385 0.90 JAK3 (0.43) JAK3EGFRBTK

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
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO claimed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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