Cyclopropane

Cyclopropane

SCHEMBL16878892

C1CC1.CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)O)CC1

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.84

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
SCHEMBL21948689 0.93 IRAK4 (0.88) IRAK4
SCHEMBL21949093 0.92 IRAK4 (0.89) IRAK4
SCHEMBL21949048 0.91 IRAK4 (1.00) IRAK4
SCHEMBL16873642 0.91 IRAK4 (1.00) IRAK4
SCHEMBL16873647 0.91 IRAK4 (1.00) IRAK4
SCHEMBL24508743 0.91 IRAK4 (0.84) IRAK4
SCHEMBL16873446 0.91 IRAK4 (1.00) IRAK4
SCHEMBL29709746 0.91 IRAK4 (0.84) IRAK4
SCHEMBL16873448 0.91 IRAK4 (1.00) IRAK4
SCHEMBL16873526 0.91 IRAK4 (1.00) 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
EP-3089973-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS Bristol-Myers Squibb Company (US) 2016-11-09 — — EP claimed
WO-2015103453-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 — — WO claimed
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