SCHEMBL19030107

SCHEMBL19030107

Cn1ccnc1-c1cc2c(cc1-n1cccn1)CC(C)(C)O2

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.52

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
SCHEMBL19030689 0.74 IRAK4 (0.49) IRAK4
SCHEMBL28655169 0.70 IRAK4 (0.53) IRAK4
SCHEMBL19030052 0.69 IRAK4 (1.00) IRAK4
SCHEMBL28668587 0.66 IRAK4 (0.58) IRAK4
SCHEMBL28356925 0.61 IRAK4 (0.51) IRAK4
SCHEMBL22265286 0.59 ALDH1A1 (0.36) IRAK4
SCHEMBL14960622 0.59 ERCC1 (0.46) —
SCHEMBL19030262 0.58 IRAK4 (0.48) IRAK4
SCHEMBL12320460 0.58 LPO (0.40) —
SCHEMBL308400 0.56 LPO (0.55) —

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-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 — — EP disclosed
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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