SCHEMBL22736230

SCHEMBL22736230

CC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.38
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ TPX2 Q9ULW0 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ JAK2 O60674 10/20 0.35
▸ JAK1 P23458 8/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ TYK2 P29597 1/20 0.33
▸ GCG P01275 1/20 0.32
▸ CIT O14578 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL29480721 1.00 GRM4 (0.38) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29567490 0.87 GCG (0.33) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22716878 0.87 GCG (0.33) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735741 0.84 EGLN1 (0.39) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480703 0.84 EGLN1 (0.39) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735996 0.84 JAK2 (0.32) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29567583 0.84 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736261 0.84 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736083 0.84 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480594 0.84 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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