SCHEMBL19046168

SCHEMBL19046168

CC1(C2CC2)Cc2cc(NO)c(N3CCC(F)(CO)CC3)cc2O1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.60

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
SCHEMBL19029944 0.85 IRAK4 (0.53) IRAK4
SCHEMBL19030266 0.81 IRAK4 (0.52) IRAK4
SCHEMBL19030380 0.76 IRAK4 (1.00) IRAK4
SCHEMBL19030209 0.76 IRAK4 (1.00) IRAK4
SCHEMBL19030378 0.76 IRAK4 (1.00) IRAK4
SCHEMBL19030477 0.70 IRAK4 (0.50) IRAK4
SCHEMBL19029892 0.70 IRAK4 (0.51) IRAK4
SCHEMBL19045317 0.69 IRAK4 (0.57) IRAK4
SCHEMBL19044753 0.68 IRAK4 (0.56) IRAK4
SCHEMBL19030095 0.67 IRAK4 (0.49) 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
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
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