SCHEMBL24701416

SCHEMBL24701416

CCNc1nc([S+](C)[O-])nc(N)c1C=N

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 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
SCHEMBL15904125 0.78 PDE10A (0.40) —
SCHEMBL15904001 0.77 PDE10A (0.41) —
SCHEMBL24701332 0.73 CA1 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL24701511 0.72 HSP90AA1 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL12854738 0.67 KDM4E (0.37) —
SCHEMBL15904144 0.65 PGK1 (0.33) —
SCHEMBL15904221 0.64 NOS3 (0.31) —
SCHEMBL3739611 0.62 NLRP3 (0.36) —
SCHEMBL19917127 0.62 — —
SCHEMBL23187530 0.61 L3MBTL1 (0.40) —

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-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 — — EP disclosed
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