SCHEMBL22735925

SCHEMBL22735925

N#CC1CN(C(=O)c2ccc(-n3cc(-c4ccnc(N)c4[N+](=O)[O-])cn3)nc2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CDK19 Q9BWU1 1/20 0.31
▸ CXCR4 P61073 1/20 0.31
▸ EGLN1 Q9GZT9 5/20 0.30
▸ RIPK2 O43353 1/20 0.30
▸ 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
SCHEMBL22736529 0.88 PIK3CD (0.36) PIK3CDKDM4ECCNCCDK8CDK19
SCHEMBL31158291 0.82 TLR7 (0.32) EGLN1
SCHEMBL29480744 0.82 LMNA (0.44) EGLN1
SCHEMBL22735770 0.79 KMT2A (0.37) KDM4ECCNCCDK8EGLN1
SCHEMBL29567643 0.79 KMT2A (0.37) KDM4ECCNCCDK8EGLN1
SCHEMBL22736532 0.78 JAK2 (0.35) PIK3CDKDM4ECXCR4EGLN1RIPK2
SCHEMBL29480648 0.76 NPSR1 (0.35) RIPK2
SCHEMBL22736126 0.76 EGLN1 (0.37) EGLN1
SCHEMBL29480720 0.76 EGLN1 (0.37) EGLN1
SCHEMBL22735887 0.76 ALDH1A1 (0.34) —

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 4 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
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN 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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