SCHEMBL28080556

SCHEMBL28080556

NC1CCCC(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.50
KIT P10721 1/20 0.48
AKT2 P31751 1/20 0.48
GSK3B P49841 1/20 0.48
JAK3 P52333 14/20 0.47
JAK1 P23458 6/20 0.47
HPGDS O60760 1/20 0.47
JAK2 O60674 3/20 0.46
TYK2 P29597 2/20 0.44
PBK Q96KB5 1/20 0.43

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
SCHEMBL24121677 0.90 KIT (0.52) DOT1LKITAKT2GSK3BJAK3
SCHEMBL24121887 0.88 KIT (0.54) DOT1LKITAKT2GSK3BJAK3
SCHEMBL2113254 0.85 HPGDS (0.58) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL24121894 0.83 JAK3 (0.58) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL13961118 0.83 JAK3 (0.58) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL1093969 0.81 HPGDS (0.53) KITAKT2GSK3BJAK3JAK1
SCHEMBL24121893 0.79 JAK3 (0.49) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL28346479 0.77 JAK3 (0.46) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL28345670 0.77 JAK3 (0.59) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL24121881 0.77 JAK3 (0.50) JAK3JAK1HPGDSJAK2TYK2

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
CN-105712998-B Azaindole derivatives, preparation method and medical application thereof 上海润诺生物科技有限公司 2019-12-13 CN disclosed
CN-105712998-A Azaindole derivatives, preparation method and applications thereof in medicine 上海润诺生物科技有限公司 2016-06-29 CN disclosed