SCHEMBL22736330

SCHEMBL22736330

CNS(=O)(=O)CCC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 2/20 0.30
▸ GCGR P47871 1/20 0.30
▸ GRM4 Q14833 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
SCHEMBL29480753 1.00 GCG (0.30) GCGGCGRGRM4
SCHEMBL22736041 0.91 GRM4 (0.32) GCGGCGRGRM4
SCHEMBL29567639 0.91 GRM4 (0.32) GCGGCGRGRM4
SCHEMBL29480678 0.89 — —
SCHEMBL29480676 0.86 GCG (0.32) GCGGCGRGRM4
SCHEMBL22736539 0.84 JAK2 (0.31) GCG
SCHEMBL29480732 0.84 JAK2 (0.31) GCG
SCHEMBL22735964 0.81 GRM4 (0.32) GRM4
SCHEMBL22735968 0.80 — —
SCHEMBL29480751 0.80 — —

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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