SCHEMBL20143953

SCHEMBL20143953

CC(C)OCC1CN(CC(C)OCC2CCC(=O)N2)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.33
KCNH2 Q12809 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL21507384 0.82 IRAK4 (0.40) IRAK4KCNH2
SCHEMBL21290423 0.82 IRAK4 (0.40) IRAK4KCNH2
SCHEMBL18084625 0.82 IRAK4 (0.40) IRAK4KCNH2
SCHEMBL22354600 0.73 IRAK4 (0.42) IRAK4KCNH2
SCHEMBL5994524 0.73 IRAK4 (0.42) IRAK4KCNH2
SCHEMBL5215585 0.71 LMNA (0.39) IRAK4KCNH2
SCHEMBL9865626 0.71 LMNA (0.39) IRAK4KCNH2
SCHEMBL22259093 0.68 IRAK4 (0.34) IRAK4KCNH2
SCHEMBL9851971 0.65 IRAK4 (0.38) IRAK4KCNH2
SCHEMBL9851963 0.65 IRAK4 (0.38) IRAK4KCNH2

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
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed