SCHEMBL25355676

SCHEMBL25355676

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.49
▸ JAK3 P52333 20/20 0.49
▸ JAK2 O60674 15/20 0.49
▸ JAK1 P23458 15/20 0.49
▸ P2RX3 P56373 1/20 0.46
▸ P2RX2 Q9UBL9 1/20 0.46

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
SCHEMBL29512133 1.00 TYK2 (0.49) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL29707886 0.78 TYK2 (0.70) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21229857 0.78 TYK2 (0.70) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24594223 0.78 TYK2 (0.70) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24337003 0.78 TYK2 (0.70) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18269690 0.78 TYK2 (0.70) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL29565789 0.76 TYK2 (0.52) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22055094 0.75 TYK2 (0.53) TYK2JAK3JAK2JAK1P2RX3
Hydrochloric Acid SCHEMBL29565580 0.74 TYK2 (0.51) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21229505 0.74 JAK3 (0.69) 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-4225754-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS Theravance Biopharma R&D IP, LLC (US) 2023-08-16 — — EP disclosed
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