SCHEMBL1050426

SCHEMBL1050426

O=CC(c1ccccc1)N1C2CCC1CN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.55
BTK Q06187 5/20 0.48
AKT1 P31749 2/20 0.48
ROCK2 O75116 1/20 0.48
AKT3 Q9Y243 1/20 0.48
JAK3 P52333 6/20 0.47
KIT P10721 2/20 0.47
GSK3B P49841 1/20 0.47
JAK2 O60674 5/20 0.47
JAK1 P23458 5/20 0.47
TYK2 P29597 5/20 0.47
DOT1L Q8TEK3 1/20 0.47
LCK P06239 1/20 0.46

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
SCHEMBL1047861 0.87 AKT1 (0.51) AKT2BTKAKT1JAK3KIT
SCHEMBL1083643 0.86 AKT2 (0.53) AKT2AKT1ROCK2AKT3JAK3
SCHEMBL1050064 0.85 AKT2 (0.53) AKT2BTKAKT1ROCK2AKT3
SCHEMBL1046404 0.84 JAK3 (0.44) AKT2BTKJAK3KITGSK3B
SCHEMBL16105927 0.80 JAK2 (0.50) AKT2JAK3KITGSK3BJAK2
SCHEMBL12958977 0.75 AKT2 (0.55) AKT2BTKJAK3KITGSK3B
SCHEMBL10321016 0.75 KIT (0.65) AKT2BTKJAK3KITGSK3B
SCHEMBL12958788 0.75 KIT (0.65) AKT2BTKJAK3KITGSK3B
SCHEMBL1047833 0.75 KIT (0.65) AKT2BTKJAK3KITGSK3B
SCHEMBL10317041 0.75 KIT (0.65) AKT2BTKJAK3KITGSK3B

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
EP-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 EP disclosed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 WO disclosed