SCHEMBL10205643

SCHEMBL10205643

NCCNC(=O)N1CCCC12CCN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.84
LCK P06239 4/20 0.73
JAK2 O60674 1/20 0.64

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
SCHEMBL10205966 0.97 JAK3 (0.82) JAK3LCKJAK2
SCHEMBL10207307 0.92 JAK3 (1.00) JAK3LCK
SCHEMBL24961932 0.90 JAK3 (0.94) JAK3LCK
SCHEMBL12911502 0.89 JAK3 (0.85) JAK3LCKJAK2
SCHEMBL12547543 0.89 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL10206442 0.87 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL12547211 0.87 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL10207314 0.86 JAK3 (0.85) JAK3LCKJAK2
SCHEMBL10206468 0.86 JAK3 (0.80) JAK3LCK
SCHEMBL12547077 0.86 JAK3 (1.00) JAK3LCKJAK2

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-2460806-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco, Inc. (JP) 2012-06-06 EP disclosed