SCHEMBL24250111

SCHEMBL24250111

CC(C)Oc1cc2c(O[C@H](C)CC3C(C)C3C)ccnc2cc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.66

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
SCHEMBL20130905 0.82 IRAK4 (0.65) IRAK4
SCHEMBL20130876 0.82 IRAK4 (0.73) IRAK4
SCHEMBL21325853 0.81 IRAK4 (0.63) IRAK4
SCHEMBL17148584 0.80 IRAK4 (1.00) IRAK4
SCHEMBL18271551 0.77 IRAK4 (0.66) IRAK4
SCHEMBL17148583 0.77 IRAK4 (1.00) IRAK4
SCHEMBL17148581 0.77 IRAK4 (1.00) IRAK4
SCHEMBL21772248 0.77 IRAK4 (1.00) IRAK4
SCHEMBL17137518 0.77 IRAK4 (1.00) IRAK4
SCHEMBL17137517 0.77 IRAK4 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 EP disclosed