SCHEMBL29986084

SCHEMBL29986084

COCCn1ncc2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(CN)CC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.55
▸ IRAK1 P51617 1/20 0.45

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
SCHEMBL16899016 1.00 IRAK4 (0.55) IRAK4IRAK1
Hydrochloric Acid SCHEMBL16898978 0.99 IRAK4 (0.54) IRAK4IRAK1
SCHEMBL16899041 0.94 IRAK4 (0.54) IRAK4
SCHEMBL16899141 0.93 IRAK4 (0.54) IRAK4
Hypochlorous Acid SCHEMBL20787534 0.93 IRAK4 (0.54) IRAK4
Hydrochloric Acid SCHEMBL16898967 0.93 IRAK4 (0.54) IRAK4IRAK1
SCHEMBL16899252 0.92 IRAK4 (0.54) IRAK4
SCHEMBL16899267 0.91 IRAK4 (0.49) IRAK4
SCHEMBL18207945 0.91 IRAK4 (0.49) IRAK4
SCHEMBL16899259 0.91 IRAK4 (0.51) IRAK4

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-4319750-A1 COMBINATION THERAPIES FOR THE TREATMENT OF CANCER Curis, Inc. (US) 2024-02-14 — — EP claimed
WO-2022216379-A1 COMBINATION THERAPIES FOR THE TREATMENT OF CANCER CURIS, INC. (US) 2022-10-13 — — WO claimed
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