SCHEMBL17193176

SCHEMBL17193176

CC(C)(O)C1CCC(NC(=O)c2cnc(-n3ccc4cc(F)cnc43)cc2NC2CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL16884109 1.00 IRAK4 (1.00) IRAK4
SCHEMBL21949143 0.89 IRAK4 (0.79) IRAK4
SCHEMBL16873594 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16873596 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16873592 0.88 IRAK4 (1.00) IRAK4
SCHEMBL29937797 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16874178 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16874177 0.88 IRAK4 (1.00) IRAK4
SCHEMBL24607164 0.80 IRAK4 (0.70) IRAK4
SCHEMBL24607166 0.80 IRAK4 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169252-B2 Heteroaryl substituted nicotinamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 — — US claimed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 — — US disclosed
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