SCHEMBL20529564

SCHEMBL20529564

N#CCC1CCN(c2nc(Nc3ccc(N4CCC[C@@H](O)C4)cc3)c3c(=O)[nH]ncc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 1.00
JAK2 O60674 14/20 0.84
JAK1 P23458 1/20 0.84
TYK2 P29597 1/20 0.84
JAK3 P52333 1/20 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
SCHEMBL14716903 1.00 SYK (1.00) SYKJAK2JAK1TYK2JAK3
SCHEMBL14717214 0.92 SYK (0.89) SYKJAK2JAK1TYK2JAK3
Gusacitinib SCHEMBL29467492 0.91 SYK (1.00) SYKJAK2JAK1TYK2JAK3
Gusacitinib SCHEMBL14717111 0.91 SYK (1.00) SYKJAK2JAK1TYK2JAK3
Gusacitinib SCHEMBL25373888 0.90 SYK (0.98) SYKJAK2JAK1TYK2JAK3
Gusacitinib SCHEMBL31038820 0.90 SYK (0.98) SYKJAK2JAK1TYK2JAK3
SCHEMBL14716799 0.90 SYK (1.00) SYKJAK2JAK1TYK2JAK3
SCHEMBL22101952 0.90 SYK (0.93) SYKJAK2JAK1TYK2JAK3
SCHEMBL20529577 0.90 SYK (1.00) SYKJAK2JAK1TYK2JAK3
SCHEMBL20529578 0.90 SYK (1.00) SYKJAK2JAK1TYK2JAK3

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-2018187294-A1 PYRIMIDO-PYRIDAZINONE COMPOUND COMBINATIONS, METHODS, KITS AND FORMULATIONS THEREOF ASANA BIOSCIENCES, LLC (US) 2018-10-11 WO claimed