SCHEMBL30622780

SCHEMBL30622780

Cc1c[nH]c2nccc(-c3c(-c4ccc(F)cc4)nn4c3CN(C(=O)OC(C)(C)C)[C@@H](C)C4)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 10/20 0.34
▸ CCNT1 O60563 8/20 0.34
▸ SLC34A1 Q06495 1/20 0.33
▸ LIMK2 P53671 3/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ LIMK1 P53667 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL30623079 0.93 TRPV1 (0.33) LIMK2ROCK2LIMK1ROCK1BTK
SCHEMBL30623097 0.93 TRPV1 (0.33) LIMK2ROCK2LIMK1ROCK1BTK
SCHEMBL26645140 0.89 LIMK2 (0.37) LIMK2ROCK2LIMK1ROCK1MAPK14
SCHEMBL26645276 0.86 JAK3 (0.41) LIMK2ROCK2LIMK1ROCK1MAPK14
SCHEMBL30622386 0.86 JAK3 (0.41) LIMK2ROCK2LIMK1ROCK1MAPK14
SCHEMBL26644828 0.86 JAK3 (0.41) LIMK2ROCK2LIMK1ROCK1MAPK14
SCHEMBL30622303 0.86 JAK3 (0.41) LIMK2ROCK2LIMK1ROCK1MAPK14
SCHEMBL30622762 0.86 LIMK2 (0.36) LIMK2ROCK2LIMK1ROCK1BTK
SCHEMBL30622795 0.85 CSNK1E (0.42) CDK9CCNT1SLC34A1GRIA1BTK
SCHEMBL26645523 0.85 CSNK1E (0.42) CDK9CCNT1SLC34A1GRIA1BTK

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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