SCHEMBL17220113

SCHEMBL17220113

CS(=O)(=O)c1ccc(CCn2cc(-c3ccnc4[nH]ccc34)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
INCENP Q9NQS7 1/20 0.56
TPX2 Q9ULW0 1/20 0.56
JAK2 O60674 6/20 0.49
JAK1 P23458 5/20 0.49
JAK3 P52333 3/20 0.49
IKBKB O14920 7/20 0.47
CHUK O15111 6/20 0.47
GRM4 Q14833 1/20 0.47
TYK2 P29597 1/20 0.47
NEK1 Q96PY6 5/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK1 Q13464 1/20 0.44

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
SCHEMBL20879725 0.79 AURKB (0.70) AURKAAURKBINCENPTPX2JAK2
SCHEMBL16673732 0.78 GRM4 (0.60) AURKAAURKBINCENPTPX2JAK2
SCHEMBL4792437 0.78 IKBKB (0.74) AURKBJAK2JAK3IKBKBCHUK
SCHEMBL23543160 0.77 AURKB (0.66) AURKAAURKBINCENPTPX2JAK2
SCHEMBL100470 0.77 AURKA (0.54) AURKAAURKBINCENPTPX2JAK2
SCHEMBL29540505 0.77 AURKA (0.54) AURKAAURKBINCENPTPX2JAK2
SCHEMBL14052556 0.76 AURKB (0.65) AURKAAURKBINCENPTPX2JAK2
SCHEMBL100071 0.75 AURKB (0.63) AURKAAURKBINCENPTPX2JAK2
SCHEMBL98999 0.75 AURKB (0.62) AURKAAURKBINCENPTPX2JAK2
SCHEMBL29540838 0.75 AURKB (0.62) AURKAAURKBINCENPTPX2JAK2

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-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
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 disclosed