SCHEMBL13580552

SCHEMBL13580552

Nc1ccc(N[C@@H]2CC[C@H](c3n[nH]c4cnc5[nH]ccc5c34)C2)nc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.37
JAK2 O60674 12/20 0.37
JAK1 P23458 14/20 0.34
HPGDS O60760 1/20 0.32
TYK2 P29597 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL13580621 1.00 JAK3 (0.37) JAK3JAK2JAK1HPGDSTYK2
SCHEMBL13580620 1.00 JAK3 (0.37) JAK3JAK2JAK1HPGDSTYK2
SCHEMBL4348877 0.86 JAK2 (0.49) JAK3JAK2JAK1TYK2
SCHEMBL4354754 0.86 JAK2 (0.49) JAK3JAK2JAK1TYK2
SCHEMBL4346555 0.86 JAK2 (0.49) JAK3JAK2JAK1TYK2
SCHEMBL4348867 0.86 JAK2 (0.49) JAK3JAK2JAK1TYK2
SCHEMBL1536833 0.79 JAK3 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL4355902 0.79 JAK3 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL13579873 0.79 JAK3 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL13580572 0.78 RET (0.40) JAK3JAK2JAK1TYK2

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
WO-2009152133-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-12-17 WO disclosed