SCHEMBL29567290

SCHEMBL29567290

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.38
▸ GRM4 Q14833 4/20 0.37
▸ HTR2B P41595 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MELK Q14680 1/20 0.31
▸ GCG P01275 2/20 0.30
▸ LDHA P00338 1/20 0.30
▸ LDHB P07195 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
SCHEMBL22735954 0.86 EGLN1 (0.34) EGLN1GRM4MELK
SCHEMBL29480652 0.86 EGLN1 (0.34) EGLN1GRM4MELK
SCHEMBL29480770 0.84 EGLN1 (0.42) EGLN1GRM4GCGLDHALDHB
SCHEMBL22736535 0.84 EGLN1 (0.42) EGLN1GRM4GCGLDHALDHB
SCHEMBL22736041 0.81 GRM4 (0.32) EGLN1GRM4GCG
SCHEMBL22736320 0.81 GRM4 (0.32) EGLN1GRM4GCG
SCHEMBL29567465 0.81 GRM4 (0.32) EGLN1GRM4GCG
SCHEMBL29567639 0.81 GRM4 (0.32) EGLN1GRM4GCG
SCHEMBL29480647 0.79 MELK (0.51) EGLN1MELKGCG
SCHEMBL22736230 0.79 GRM4 (0.38) 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
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
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