SCHEMBL29480676

SCHEMBL29480676

CS(=O)(=O)NCCC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 6/20 0.32
▸ GCGR P47871 3/20 0.32
▸ IRAK1 P51617 3/20 0.31
▸ EIF2AK4 Q9P2K8 1/20 0.31
▸ 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
SCHEMBL22736041 0.90 GRM4 (0.32) GCGGCGRGRM4
SCHEMBL29567639 0.90 GRM4 (0.32) GCGGCGRGRM4
SCHEMBL29480723 0.89 — —
SCHEMBL29480753 0.86 GCG (0.30) GCGGCGRGRM4
SCHEMBL22736330 0.86 GCG (0.30) GCGGCGRGRM4
SCHEMBL29480745 0.84 JAK2 (0.32) GCGGCGREIF2AK4
SCHEMBL22736219 0.81 RIPK2 (0.36) GCGGCGR
SCHEMBL29480743 0.81 RIPK2 (0.36) GCGGCGR
SCHEMBL22735964 0.79 GRM4 (0.32) GRM4
SCHEMBL29480711 0.79 RIPK2 (0.35) GCG

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 2 patents. 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
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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