SCHEMBL22736535

SCHEMBL22736535

CC(C(N)=O)c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 8/20 0.42
▸ GRM4 Q14833 2/20 0.36
▸ MET P08581 1/20 0.35
▸ MST1R Q04912 1/20 0.35
▸ GCG P01275 4/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ BTK Q06187 3/20 0.32

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
SCHEMBL29480770 1.00 EGLN1 (0.42) EGLN1GRM4METMST1RGCG
SCHEMBL22736533 0.86 EGLN1 (0.38) EGLN1GRM4METMST1RGCG
SCHEMBL29480668 0.86 EGLN1 (0.38) EGLN1GRM4METMST1RGCG
SCHEMBL29567290 0.84 EGLN1 (0.38) EGLN1GRM4GCGLDHALDHB
SCHEMBL22735741 0.81 EGLN1 (0.39) EGLN1GRM4METMST1RGCG
SCHEMBL29480703 0.81 EGLN1 (0.39) EGLN1GRM4METMST1RGCG
SCHEMBL29480747 0.77 GRM4 (0.37) EGLN1GRM4
SCHEMBL29589289 0.76 EGLN1 (0.46) EGLN1
Hydrochloric Acid SCHEMBL29629385 0.75 EGLN1 (0.45) EGLN1
SCHEMBL22736041 0.75 GRM4 (0.32) EGLN1GRM4GCG

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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