SCHEMBL17219905

SCHEMBL17219905

N#Cc1cccc(CCn2cc(-c3ccnc4[nH]ccc34)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.52
AURKB Q96GD4 2/20 0.51
AURKA O14965 1/20 0.51
INCENP Q9NQS7 1/20 0.51
TPX2 Q9ULW0 1/20 0.51
GRM4 Q14833 1/20 0.47
JAK1 P23458 10/20 0.45
JAK3 P52333 6/20 0.45
JAK2 O60674 11/20 0.43
TYK2 P29597 1/20 0.43
CREBBP Q92793 1/20 0.43
NUDT1 P36639 2/20 0.42
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41

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
SCHEMBL99415 0.90 ALK (0.61) ALKAURKBAURKAINCENPTPX2
SCHEMBL29540647 0.90 ALK (0.61) ALKAURKBAURKAINCENPTPX2
SCHEMBL17907476 0.85 JAK2 (0.54) ALKAURKBAURKAJAK1JAK3
Trifluoroacetic Acid SCHEMBL4089057 0.82 ALK (0.53) ALKAURKBAURKAINCENPTPX2
SCHEMBL101771 0.80 AURKB (0.54) ALKAURKBAURKAINCENPTPX2
SCHEMBL30009412 0.79 AURKB (0.62) ALKAURKBAURKAINCENPTPX2
SCHEMBL99373 0.79 AURKB (0.62) ALKAURKBAURKAINCENPTPX2
SCHEMBL101660 0.79 GRM4 (0.70) ALKAURKBAURKAINCENPTPX2
SCHEMBL16673732 0.79 GRM4 (0.60) ALKAURKBAURKAINCENPTPX2
SCHEMBL100283 0.77 AURKB (0.59) ALKAURKBAURKAINCENPTPX2

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
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 EP claimed