SCHEMBL30622386

SCHEMBL30622386

C=CC(=O)N1Cc2c(-c3ccnc4[nH]cc(C)c34)c(-c3ccc(F)cc3)nn2C[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.41
▸ KRAS P01116 5/20 0.38
▸ EGFR P00533 2/20 0.37
▸ MAPK14 Q16539 1/20 0.35
▸ LIMK2 P53671 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ ROCK1 Q13464 2/20 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
SCHEMBL26645276 1.00 JAK3 (0.41) JAK3KRASEGFRMAPK14LIMK2
SCHEMBL30622303 1.00 JAK3 (0.41) JAK3KRASEGFRMAPK14LIMK2
SCHEMBL26644828 1.00 JAK3 (0.41) JAK3KRASEGFRMAPK14LIMK2
SCHEMBL26645744 0.92 JAK3 (0.39) JAK3KRASEGFRLIMK2ROCK2
SCHEMBL30622951 0.92 JAK3 (0.39) JAK3KRASEGFRLIMK2ROCK2
SCHEMBL26645140 0.90 LIMK2 (0.37) JAK3EGFRMAPK14LIMK2ROCK2
SCHEMBL30622352 0.88 KRAS (0.36) JAK3KRASEGFRLIMK2ROCK2
SCHEMBL30622416 0.88 KRAS (0.36) JAK3KRASEGFRLIMK2ROCK2
SCHEMBL26644842 0.88 KRAS (0.36) JAK3KRASEGFRLIMK2ROCK2
SCHEMBL26645501 0.88 KRAS (0.36) JAK3KRASEGFRLIMK2ROCK2

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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