SCHEMBL25960910

SCHEMBL25960910

C=CN(C=C)C(=O)c1cc(NCC(F)(F)F)c(C(=N)Br)cn1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.32

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
SCHEMBL25960854 0.83
SCHEMBL25960484 0.82 KMT2A (0.36) IRAK4
SCHEMBL25960670 0.79 IRAK4 (0.36) IRAK4
SCHEMBL25960805 0.76 IRAK4 (0.34) IRAK4
SCHEMBL25958904 0.76 ALDH1A1 (0.37)
SCHEMBL25959229 0.73 PCSK9 (0.39) IRAK4
SCHEMBL25959270 0.72 SCN9A (0.40) IRAK4
SCHEMBL25958987 0.71 LRRK2 (0.41)
SCHEMBL25960499 0.68 JAK3 (0.33) IRAK4
SCHEMBL25960505 0.67 JAK3 (0.32) 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-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed