SCHEMBL16249709

SCHEMBL16249709

CN(c1cnc2[nH]ccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.49
JAK2 O60674 7/20 0.48
JAK3 P52333 5/20 0.48
TYK2 P29597 3/20 0.48
GPR119 Q8TDV5 8/20 0.46
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL16249711 0.84 GPR119 (0.46) JAK1JAK2JAK3TYK2GPR119
SCHEMBL16249700 0.80 GPR119 (0.44) JAK1JAK2JAK3TYK2GPR119
SCHEMBL23029209 0.79 JAK1 (0.75) JAK1JAK2JAK3TYK2
SCHEMBL19296935 0.78 JAK1 (0.41) JAK1JAK2JAK3TYK2USP30
SCHEMBL21705250 0.77 GPR119 (0.40) JAK1JAK2JAK3TYK2GPR119
SCHEMBL12799403 0.77 JAK3 (0.53) JAK1JAK2JAK3
SCHEMBL19296934 0.76 JAK3 (0.68) JAK1JAK2JAK3USP30
SCHEMBL29863135 0.76 GPR119 (0.48) GPR119USP30
SCHEMBL23360071 0.76 GPR119 (0.48) GPR119USP30
SCHEMBL23360414 0.75 GPR119 (0.52) GPR119USP30

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889684-B2 Azaindolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889684-B2 Azaindolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed