SCHEMBL14729756

SCHEMBL14729756

NCC1CCN(c2nc(Nc3ccc(CN4CCC(C(=O)O)CC4)cc3)c3c(=O)[nH]ncc3n2)CC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.82
JAK2 O60674 12/20 0.71

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
SCHEMBL14728752 0.92 SYK (0.79) SYKJAK2
SCHEMBL14716793 0.91 SYK (0.82) SYKJAK2
SCHEMBL29635138 0.91 SYK (0.82) SYKJAK2
SCHEMBL29635110 0.90 SYK (1.00) SYKJAK2
SCHEMBL14716836 0.90 SYK (1.00) SYKJAK2
SCHEMBL14725215 0.90 SYK (0.82) SYKJAK2
Hydrochloric Acid SCHEMBL14717066 0.89 SYK (0.81) SYKJAK2
SCHEMBL29635165 0.88 SYK (0.83) SYKJAK2
SCHEMBL14717018 0.88 SYK (0.83) SYKJAK2
SCHEMBL14717056 0.88 SYK (0.82) SYKJAK2

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-2013028818-A1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2013-02-28 WO disclosed