SCHEMBL30227646

SCHEMBL30227646

Cc1cc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4[C@H]3C[C@H](C#N)C3)n2)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.74
▸ TYK2 P29597 19/20 0.74
▸ JAK2 O60674 14/20 0.74
▸ JAK1 P23458 14/20 0.74
▸ P2RX3 P56373 1/20 0.64
▸ P2RX2 Q9UBL9 1/20 0.64

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
SCHEMBL30227592 1.00 JAK3 (0.74) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22054167 1.00 JAK3 (0.74) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL23879038 1.00 JAK3 (0.74) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL23878745 1.00 JAK3 (0.74) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL23889259 0.90 TYK2 (0.74) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL23517261 0.90 TYK2 (0.76) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22055028 0.89 TYK2 (0.76) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22054465 0.89 JAK3 (0.76) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24995477 0.89 JAK3 (0.76) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22054477 0.89 JAK3 (0.76) JAK3TYK2JAK2JAK1P2RX3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003441-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2025-06-10 — — CN disclosed
CN-115925705-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-12-31 — — CN disclosed
CN-116003441-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-25 — — CN disclosed
CN-115925705-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-07 — — CN disclosed
CN-111511738-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-01-20 — — CN disclosed
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