SCHEMBL22736247

SCHEMBL22736247

C[S+]([O-])N1CCC(C(=O)c2ccc(-n3cc(-c4ccnc(N)c4N)cn3)nc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 4/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.32
▸ RIPK2 O43353 2/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ RET P07949 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
SCHEMBL22736025 0.85 NPSR1 (0.38) SLC18A3EGLN1RIPK2RET
SCHEMBL29480648 0.76 NPSR1 (0.35) SLC18A3RIPK2
SCHEMBL22736529 0.73 PIK3CD (0.36) EGLN1RIPK2KDM4EGRM4RET
SCHEMBL22736535 0.69 EGLN1 (0.42) EGLN1GRM4
SCHEMBL29480770 0.69 EGLN1 (0.42) EGLN1GRM4
SCHEMBL29480674 0.69 JAK2 (0.41) —
SCHEMBL29480769 0.68 MAP3K7 (0.37) GRM4
SCHEMBL22735955 0.68 MAP3K7 (0.37) GRM4
SCHEMBL29480654 0.67 GRM4 (0.35) KDM4EGRM4
SCHEMBL22736355 0.67 MELK (0.33) KDM4EGRM4

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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