SCHEMBL22736532

SCHEMBL22736532

N#CC1CN(C(=O)c2ccc(-n3cc(-c4ccnc5[nH]cnc45)cn3)nc2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.35
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ EGLN1 Q9GZT9 7/20 0.34
▸ CXCR4 P61073 1/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 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
SCHEMBL22736529 0.82 PIK3CD (0.36) JAK2JAK1JAK3KDM4EEGLN1
SCHEMBL29480520 0.81 JAK1 (0.34) JAK2JAK1JAK3EGLN1RET
SCHEMBL22736015 0.81 JAK1 (0.34) JAK2JAK1JAK3EGLN1RET
SCHEMBL22735747 0.80 JAK2 (0.34) JAK2JAK1JAK3CCNT1CDK9
SCHEMBL22716885 0.80 GCG (0.39) JAK2JAK3EGLN1
SCHEMBL29567469 0.80 GCG (0.39) JAK2JAK3EGLN1
SCHEMBL22735925 0.78 PIK3CD (0.34) KDM4EEGLN1CXCR4RIPK2RET
SCHEMBL29480536 0.77 GRM4 (0.35) JAK2EGLN1
SCHEMBL22736279 0.76 GRM5 (0.41) JAK2JAK1JAK3KDM4EEGLN1
SCHEMBL29823952 0.76 GRM5 (0.41) JAK2JAK1JAK3KDM4EEGLN1

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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