SCHEMBL21229505

SCHEMBL21229505

Cc1cc(Nc2cc3ncccc3c(NC3CC4CCCC(C3)N4)n2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.69
▸ TYK2 P29597 19/20 0.69
▸ P2RX3 P56373 1/20 0.69
▸ P2RX2 Q9UBL9 1/20 0.69
▸ JAK1 P23458 14/20 0.68
▸ JAK2 O60674 13/20 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
SCHEMBL30569770 1.00 JAK3 (0.69) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL18271836 1.00 JAK3 (0.69) JAK3TYK2P2RX3P2RX2JAK1
Hydrochloric Acid SCHEMBL30569787 0.99 JAK3 (0.68) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL29707886 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL21229857 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL24594223 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL18269690 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL24337003 0.96 TYK2 (0.70) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL22055026 0.88 TYK2 (0.63) JAK3TYK2P2RX3P2RX2JAK1
SCHEMBL21676342 0.87 TYK2 (0.69) JAK3TYK2P2RX3P2RX2JAK1

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-3303348-B1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2019-08-07 — — EP disclosed
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