SCHEMBL30757668

SCHEMBL30757668

CC(C)(C(=O)O)N1CCN(c2ccc(Nc3nc(N4CCC(CC#N)CC4)nc4cn[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.84
SYK P43405 13/20 0.78
JAK1 P23458 1/20 0.78
TYK2 P29597 1/20 0.78
JAK3 P52333 1/20 0.78

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
SCHEMBL14717503 1.00 JAK2 (0.84) JAK2SYKJAK1TYK2JAK3
SCHEMBL20376706 0.92 JAK2 (0.86) JAK2SYKJAK1TYK2JAK3
SCHEMBL14716846 0.91 JAK2 (1.00) JAK2SYKJAK1TYK2JAK3
SCHEMBL22101952 0.90 SYK (0.93) JAK2SYKJAK1TYK2JAK3
SCHEMBL14717727 0.90 SYK (0.83) JAK2SYKJAK1TYK2JAK3
SCHEMBL14716649 0.89 JAK2 (1.00) JAK2SYKJAK1TYK2JAK3
SCHEMBL14716981 0.89 JAK2 (0.83) JAK2SYKJAK1TYK2JAK3
SCHEMBL14717352 0.89 JAK2 (1.00) JAK2SYKJAK1TYK2JAK3
SCHEMBL30604964 0.89 JAK2 (0.83) JAK2SYKJAK1TYK2JAK3
SCHEMBL14717482 0.88 JAK2 (1.00) JAK2SYKJAK1TYK2JAK3

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
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed