SCHEMBL30264224

SCHEMBL30264224

c1nc(N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00
▸ IRAK2 O43187 1/20 1.00
▸ CLK1 P49759 1/20 1.00
▸ CLK2 P49760 1/20 1.00
▸ IRAK1 P51617 1/20 1.00
▸ HASPIN Q8TF76 1/20 1.00
▸ CLK4 Q9HAZ1 1/20 1.00
▸ IRAK3 Q9Y616 1/20 1.00

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
SCHEMBL21106082 1.00 IRAK4 (1.00) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL23763239 1.00 IRAK4 (1.00) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21105720 1.00 IRAK4 (1.00) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL23860570 1.00 IRAK4 (1.00) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21070419 0.93 IRAK4 (0.86) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL31664231 0.93 IRAK4 (0.86) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21107419 0.93 IRAK4 (0.86) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL23945382 0.92 IRAK4 (0.84) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL23945438 0.92 IRAK4 (0.84) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL22906395 0.92 IRAK4 (0.84) IRAK4IRAK2CLK1CLK2IRAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4132524-A1 ORAL COMPOSITIONS OF MK2 PATHWAY INHIBITOR FOR TREATMENT OF IMMUNE CONDITIONS Aclaris Therapeutics, Inc. (US) 2023-02-15 — — EP disclosed
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