SCHEMBL29635201

SCHEMBL29635201

N#CCC(=O)N1CCN(c2nc(Nc3ccc(N4CCC(C(=O)O)CC4)cc3)c3c(=O)[nH]ncc3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.68
JAK2 O60674 11/20 0.65
JAK1 P23458 1/20 0.65
TYK2 P29597 1/20 0.65
JAK3 P52333 1/20 0.65

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
SCHEMBL14716998 1.00 SYK (0.68) SYKJAK2JAK1TYK2JAK3
SCHEMBL29635070 0.91 SYK (0.80) SYKJAK2
SCHEMBL14716985 0.91 SYK (0.80) SYKJAK2
SCHEMBL30604953 0.91 SYK (0.82) SYKJAK2JAK1TYK2JAK3
SCHEMBL14716628 0.91 SYK (0.82) SYKJAK2JAK1TYK2JAK3
SCHEMBL30604874 0.91 JAK2 (0.80) SYKJAK2JAK1TYK2JAK3
SCHEMBL14717260 0.91 JAK2 (0.80) SYKJAK2JAK1TYK2JAK3
SCHEMBL14717824 0.91 SYK (0.72) SYKJAK2JAK1TYK2JAK3
SCHEMBL30604873 0.91 SYK (0.72) SYKJAK2JAK1TYK2JAK3
SCHEMBL14717287 0.90 SYK (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 CN claimed
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 CN disclosed