SCHEMBL22736083

SCHEMBL22736083

CC(C#N)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ INCENP Q9NQS7 1/20 0.33
▸ TPX2 Q9ULW0 1/20 0.33
▸ JAK2 O60674 10/20 0.33
▸ JAK1 P23458 6/20 0.33
▸ JAK3 P52333 3/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GCG P01275 1/20 0.30

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
SCHEMBL29480594 1.00 GRM4 (0.35) GRM4EGLN1AURKAAURKBINCENP
SCHEMBL29480633 0.85 JAK2 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735736 0.85 JAK2 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736230 0.84 GRM4 (0.38) GRM4EGLN1AURKAAURKBINCENP
SCHEMBL29480721 0.84 GRM4 (0.38) GRM4EGLN1AURKAAURKBINCENP
SCHEMBL29480524 0.84 JAK2 (0.33) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22735743 0.84 JAK2 (0.33) GRM4JAK2JAK1JAK3TYK2
SCHEMBL29480519 0.84 JAK2 (0.33) GRM4JAK2JAK1JAK3TYK2
SCHEMBL29480483 0.82 JAK2 (0.36) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22735741 0.82 EGLN1 (0.39) GRM4EGLN1AURKAAURKBINCENP

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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