SCHEMBL10232160

SCHEMBL10232160

O=CN1CCC(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.54
JAK2 O60674 16/20 0.54
JAK1 P23458 16/20 0.54
TYK2 P29597 16/20 0.54
KIT P10721 2/20 0.50
AKT1 P31749 1/20 0.47

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
SCHEMBL15988537 0.90 JAK3 (0.58) JAK3JAK2JAK1TYK2KIT
SCHEMBL323382 0.89 JAK3 (0.54) JAK3JAK2JAK1TYK2KIT
SCHEMBL324657 0.88 JAK3 (0.58) JAK3JAK2JAK1TYK2KIT
SCHEMBL10231884 0.81 JAK3 (0.69) JAK3JAK2KITAKT1
SCHEMBL327521 0.80 JAK3 (0.71) JAK3JAK2JAK1TYK2
SCHEMBL323644 0.78 KIT (0.60) JAK3KITAKT1
SCHEMBL323112 0.78 KIT (0.57) JAK3KITAKT1
SCHEMBL327101 0.77 JAK3 (0.57) JAK3KITAKT1
SCHEMBL323181 0.77 KIT (0.64) JAK3JAK2JAK1TYK2KIT
SCHEMBL15664177 0.77 KIT (0.63) JAK3JAK1KITAKT1

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-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO disclosed