SCHEMBL30623079

SCHEMBL30623079

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ LIMK2 P53671 4/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ MAP2K4 P45985 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL30623097 1.00 TRPV1 (0.33) TRPV1NR1H2NR1H3LIMK2EIF2AK4
SCHEMBL30622780 0.93 CDK9 (0.34) LIMK2BTKROCK2LIMK1ROCK1
SCHEMBL26645585 0.90 LIMK2 (0.35) TRPV1LIMK2ROCK2LIMK1ROCK1
SCHEMBL26645012 0.90 LIMK2 (0.35) TRPV1LIMK2ROCK2LIMK1ROCK1
SCHEMBL30622951 0.87 JAK3 (0.39) TRPV1LIMK2BTKROCK2LIMK1
SCHEMBL26645744 0.87 JAK3 (0.39) TRPV1LIMK2BTKROCK2LIMK1
SCHEMBL30622762 0.84 LIMK2 (0.36) LIMK2BTKROCK2LIMK1ROCK1
SCHEMBL26645418 0.84 EIF2AK4 (0.35) TRPV1NR1H2NR1H3LIMK2EIF2AK4
SCHEMBL30622793 0.84 EIF2AK4 (0.35) TRPV1NR1H2NR1H3LIMK2EIF2AK4
SCHEMBL30622789 0.83 EGFR (0.34) TRPV1BTK

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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