SCHEMBL24900435

SCHEMBL24900435

CCC(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccc(N4CCNCC4)cc3OC)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.70
▸ EGFR P00533 9/20 0.69
▸ JAK3 P52333 1/20 0.68
▸ NUAK1 O60285 1/20 0.64
▸ NUAK2 Q9H093 1/20 0.64

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
SCHEMBL30221455 1.00 ALK (0.70) ALKEGFRJAK3NUAK1NUAK2
SCHEMBL24900764 0.92 JAK3 (0.80) ALKEGFRJAK3NUAK1NUAK2
SCHEMBL30221290 0.92 JAK3 (0.80) ALKEGFRJAK3NUAK1NUAK2
SCHEMBL24900436 0.90 EGFR (0.84) ALKEGFRJAK3
SCHEMBL30221268 0.90 EGFR (0.84) ALKEGFRJAK3
SCHEMBL16752958 0.83 ALK (1.00) ALKEGFR
SCHEMBL24900578 0.83 EGFR (0.53) ALKEGFRJAK3NUAK1NUAK2
SCHEMBL30221628 0.83 EGFR (0.53) ALKEGFRJAK3NUAK1NUAK2
SCHEMBL30221317 0.82 ALK (0.76) ALKEGFR
SCHEMBL29229096 0.82 ALK (0.76) ALKEGFR

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
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 — — CN disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 — — WO disclosed
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