SCHEMBL22736339

SCHEMBL22736339

CCC/C=N\c1c(-c2cnn(-c3ccc(C(C)S(C)(=O)=O)cn3)c2)ccnc1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.35
▸ GCG P01275 4/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ KDM5A P29375 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
SCHEMBL29567290 0.76 EGLN1 (0.38) GRM4GCGEGLN1
SCHEMBL22736209 0.74 GRM4 (0.35) GRM4
SCHEMBL29480647 0.72 MELK (0.51) GCGEGLN1
SCHEMBL22736230 0.72 GRM4 (0.38) GRM4GCGEGLN1
SCHEMBL29480721 0.72 GRM4 (0.38) GRM4GCGEGLN1
SCHEMBL29480652 0.71 EGLN1 (0.34) GRM4EGLN1
SCHEMBL22735954 0.71 EGLN1 (0.34) GRM4EGLN1
SCHEMBL19288094 0.65 NOS2 (0.35) —
SCHEMBL29480523 0.64 ADORA2A (0.36) GRM4GCGEGLN1
SCHEMBL22716878 0.63 GCG (0.33) GRM4GCGEGLN1

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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