SCHEMBL22736529

SCHEMBL22736529

N#CC1CN(C(=O)c2ccc(-n3cc(-c4ccnc(N)c4N)cn3)nc2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ EGLN1 Q9GZT9 11/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ GRM4 Q14833 2/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL22735925 0.88 PIK3CD (0.34) PIK3CDKDM4EEGLN1CCNCCDK8
SCHEMBL22736532 0.82 JAK2 (0.35) PIK3CDKDM4EEGLN1CXCR4RIPK2
SCHEMBL29480740 0.79 TLR7 (0.34) EGLN1GRM4JAK2JAK1RET
SCHEMBL22736025 0.74 NPSR1 (0.38) EGLN1RIPK2JAK2JAK1RET
SCHEMBL22736247 0.73 SLC18A3 (0.35) KDM4EEGLN1GRM4RIPK2RET
SCHEMBL22735735 0.73 ATR (0.34) PIK3CDJAK2JAK1RET
SCHEMBL29480746 0.72 EGLN1 (0.39) EGLN1GRM4RIPK2
SCHEMBL22736270 0.72 EGLN1 (0.39) EGLN1GRM4RIPK2
SCHEMBL22736535 0.69 EGLN1 (0.42) EGLN1GRM4
SCHEMBL29480770 0.69 EGLN1 (0.42) EGLN1GRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 — — CN disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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