SCHEMBL27762489

SCHEMBL27762489

CC(c1ccc(C[SH](=O)=O)cc1)n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 3/20 0.53
▸ AURKA O14965 2/20 0.53
▸ INCENP Q9NQS7 2/20 0.53
▸ TPX2 Q9ULW0 2/20 0.53
▸ CIT O14578 4/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ JAK2 O60674 9/20 0.43
▸ JAK1 P23458 8/20 0.43
▸ JAK3 P52333 4/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ NUDT1 P36639 1/20 0.40
▸ IKBKB O14920 2/20 0.40
▸ CHUK O15111 2/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ IGF1R P08069 1/20 0.40

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
SCHEMBL29540620 0.84 GRM4 (0.62) AURKBAURKAINCENPTPX2CIT
SCHEMBL101789 0.84 GRM4 (0.62) AURKBAURKAINCENPTPX2CIT
SCHEMBL100470 0.83 AURKA (0.54) AURKBAURKAINCENPTPX2CIT
SCHEMBL29540505 0.83 AURKA (0.54) AURKBAURKAINCENPTPX2CIT
SCHEMBL99403 0.82 AURKB (0.55) AURKBAURKAINCENPTPX2CIT
SCHEMBL100507 0.82 AURKB (0.55) AURKBAURKAINCENPTPX2CIT
SCHEMBL29540831 0.82 AURKB (0.55) AURKBAURKAINCENPTPX2CIT
Trifluoroacetic Acid SCHEMBL4087373 0.78 GRM4 (0.53) AURKBAURKAINCENPTPX2CIT
SCHEMBL28338421 0.78 AURKB (0.56) AURKBAURKAINCENPTPX2CIT
SCHEMBL14500069 0.77 AURKB (0.63) AURKBAURKAINCENPTPX2CIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254190-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-08-21 — — CN claimed
CN-103214484-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP A DELAWARE CORP 2013-07-24 — — CN claimed
CN-103214483-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-07-24 — — CN claimed
CN-101448826-A Heteroaryl substituted pyrrolo [2 ] as janus kinase inhibitors INCYTE CORP (US) 2009-06-03 — — CN claimed
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