SCHEMBL29565763

SCHEMBL29565763

CNC(=O)CN1[C@@H]2CCC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 1.00
▸ TYK2 P29597 19/20 1.00
▸ JAK1 P23458 15/20 1.00
▸ JAK2 O60674 14/20 0.72
▸ P2RX3 P56373 1/20 0.72
▸ P2RX2 Q9UBL9 1/20 0.72

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
SCHEMBL21574344 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18269714 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18260553 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18260550 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL21676287 0.88 TYK2 (0.79) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL23517233 0.85 TYK2 (0.78) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL21229652 0.85 TYK2 (0.78) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL22055028 0.84 TYK2 (0.76) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL21574331 0.84 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL29566062 0.84 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3

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
CN-111362975-B Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2022-04-05 — — CN disclosed
Send feedback