SCHEMBL23889259

SCHEMBL23889259

Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4[C@H]3C[C@H](C)C3)n2)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.74
▸ JAK3 P52333 20/20 0.74
▸ JAK2 O60674 15/20 0.74
▸ JAK1 P23458 15/20 0.74
▸ P2RX3 P56373 1/20 0.68
▸ P2RX2 Q9UBL9 1/20 0.68

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
SCHEMBL23517261 0.93 TYK2 (0.76) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22055028 0.92 TYK2 (0.76) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL30227646 0.90 JAK3 (0.74) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22054167 0.90 JAK3 (0.74) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23879038 0.90 JAK3 (0.74) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL30227592 0.90 JAK3 (0.74) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23878745 0.90 JAK3 (0.74) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL26083190 0.89 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24337136 0.88 TYK2 (0.78) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL19214076 0.88 TYK2 (0.71) TYK2JAK3JAK2JAK1P2RX3

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-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP disclosed
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