SCHEMBL30221290

SCHEMBL30221290

CCC(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.80
▸ EGFR P00533 16/20 0.76
▸ NUAK1 O60285 1/20 0.76
▸ NUAK2 Q9H093 1/20 0.76
▸ JAK2 O60674 1/20 0.65
▸ JAK1 P23458 1/20 0.65
▸ TTK P33981 1/20 0.65
▸ FLT3 P36888 1/20 0.65
▸ TXK P42681 1/20 0.65
▸ BLK P51451 1/20 0.65
▸ BTK Q06187 1/20 0.65
▸ ITK Q08881 1/20 0.65
▸ MAP3K7 O43318 2/20 0.65
▸ ALK Q9UM73 1/20 0.63

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
SCHEMBL24900764 1.00 JAK3 (0.80) JAK3EGFRNUAK1NUAK2JAK2
SCHEMBL30221268 0.92 EGFR (0.84) JAK3EGFRALK
SCHEMBL24900436 0.92 EGFR (0.84) JAK3EGFRALK
SCHEMBL30221455 0.92 ALK (0.70) JAK3EGFRNUAK1NUAK2ALK
SCHEMBL24900435 0.92 ALK (0.70) JAK3EGFRNUAK1NUAK2ALK
SCHEMBL17209825 0.89 JAK3 (1.00) JAK3EGFRNUAK1NUAK2JAK2
SCHEMBL29504107 0.86 EGFR (1.00) JAK3EGFRNUAK1NUAK2JAK2
SCHEMBL31060495 0.86 EGFR (1.00) JAK3EGFRNUAK1NUAK2JAK2
SCHEMBL10128042 0.86 EGFR (0.86) JAK3EGFRNUAK1NUAK2JAK2
SCHEMBL17209775 0.85 JAK3 (0.85) JAK3EGFRNUAK1NUAK2JAK2

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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