SCHEMBL19046301

SCHEMBL19046301

O=C(OCc1ccccc1)N1CCC2(Cc3cc(NO)c(N4CCOCC4)cc3O2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ IRAK4 Q9NWZ3 17/20 0.44
▸ MAPT P10636 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3CA P42336 1/20 0.41

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
SCHEMBL19030523 0.88 KMT2A (0.47) MEN1KMT2ANPSR1IRAK4MAPT
SCHEMBL19029998 0.85 LIN28A (0.47) MEN1KMT2ANPSR1MAPTPIK3R1
SCHEMBL19030429 0.81 IRAK4 (0.72) IRAK4
SCHEMBL19030072 0.77 EPHX2 (0.49) MEN1KMT2ANPSR1MAPT
SCHEMBL19029910 0.76 RORC (0.42) MEN1KMT2ANPSR1
SCHEMBL349554 0.73 HRH3 (0.48) MEN1KMT2ANPSR1MAPT
SCHEMBL349555 0.73 HRH3 (0.48) MEN1KMT2ANPSR1MAPT
SCHEMBL541558 0.72 MEN1 (0.57) MEN1KMT2ANPSR1
SCHEMBL15399354 0.71 MEN1 (0.59) MEN1KMT2ANPSR1MAPT
SCHEMBL15958476 0.71 MEN1 (0.59) MEN1KMT2ANPSR1MAPT

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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