SCHEMBL30196813

SCHEMBL30196813

CC(C)Oc1cc2c(O[C@@H](C)[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 1.00
KCNH2 Q12809 1/20 0.74

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
SCHEMBL17137603 1.00 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL21327707 1.00 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL30196640 1.00 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL25903123 1.00 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL17137129 1.00 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL24250059 1.00 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL17136940 0.93 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL20130928 0.93 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL30196522 0.93 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL24250232 0.85 IRAK4 (0.75) IRAK4KCNH2

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-115715194-A Methods of treating coronavirus disease 2019 辉瑞公司 2023-02-24 CN disclosed
EP-4125900-A1 METHODS OF TREATING CORONAVIRUS DISEASE 2019 Pfizer Inc. (US) 2023-02-08 EP disclosed