SCHEMBL21229652

SCHEMBL21229652

Cc1cc(Nc2cc3ncccc3c(NC3CC4CCCC(C3)N4C)n2)n[nH]1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.78
▸ JAK3 P52333 20/20 0.78
▸ P2RX3 P56373 1/20 0.77
▸ P2RX2 Q9UBL9 1/20 0.77
▸ JAK1 P23458 16/20 0.77
▸ JAK2 O60674 15/20 0.77

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
SCHEMBL23517233 1.00 TYK2 (0.78) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL26083190 0.96 TYK2 (0.82) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL22055028 0.92 TYK2 (0.76) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL23517261 0.89 TYK2 (0.76) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL24337136 0.88 TYK2 (0.78) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL24286767 0.88 TYK2 (1.00) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL21574352 0.87 JAK3 (0.74) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL18269708 0.87 JAK3 (1.00) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL18263244 0.87 JAK3 (1.00) TYK2JAK3P2RX3P2RX2JAK1
SCHEMBL18271836 0.87 JAK3 (0.69) TYK2JAK3P2RX3P2RX2JAK1

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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