SCHEMBL13770677

SCHEMBL13770677

N[C@@H](C(=O)N1CCN(c2c(I)cnc3[nH]ccc23)CC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 1/20 0.41
JAK3 P52333 11/20 0.41
JAK2 O60674 7/20 0.41
TYK2 P29597 5/20 0.41
AURKA O14965 1/20 0.41
AKT1 P31749 3/20 0.40
JAK1 P23458 7/20 0.40

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
SCHEMBL3724674 0.88 DPP4 (0.41) DPP4DPP7DPP8DPP9JAK3
SCHEMBL3724681 0.88 DPP4 (0.41) DPP4DPP7DPP8DPP9JAK3
SCHEMBL3666892 0.75 TYK2 (0.39) JAK3JAK2TYK2AURKAAKT1
SCHEMBL3718042 0.70 JAK1 (0.42) JAK3JAK2TYK2AURKAJAK1
SCHEMBL3718044 0.70 JAK1 (0.42) JAK3JAK2TYK2AURKAJAK1
SCHEMBL13011188 0.67 AKT1 (0.54) AKT1
SCHEMBL15664399 0.66 JAK3 (0.62) JAK3AKT1JAK1
SCHEMBL2104963 0.66 JAK3 (0.52) JAK3JAK2TYK2JAK1
SCHEMBL20368699 0.65 BTK (0.47) JAK3JAK2TYK2AURKAAKT1
SCHEMBL12101575 0.65 AKT1 (0.72) AKT1

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-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed