SCHEMBL29480746

SCHEMBL29480746

N#CCc1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 7/20 0.39
▸ GRM4 Q14833 4/20 0.38
▸ ATR Q13535 2/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ HTR2B P41595 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ MAP3K7 O43318 1/20 0.31
▸ TAB1 Q15750 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ RIPK2 O43353 1/20 0.31

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
SCHEMBL22736270 1.00 EGLN1 (0.39) EGLN1GRM4ATRGRM5MAP4K1
SCHEMBL29480720 0.84 EGLN1 (0.37) EGLN1GRM4ATRGRM5MAP4K1
SCHEMBL22736126 0.84 EGLN1 (0.37) EGLN1GRM4ATRGRM5MAP4K1
SCHEMBL29480740 0.81 TLR7 (0.34) EGLN1GRM4GRM5
SCHEMBL22735993 0.78 EGLN1 (0.37) EGLN1GRM4ATRGRM5
SCHEMBL29480471 0.78 EGLN1 (0.37) EGLN1GRM4ATRGRM5
Hydrochloric Acid SCHEMBL29480556 0.78 EGLN1 (0.36) EGLN1GRM4ATRGRM5
SCHEMBL22735779 0.75 GRM4 (0.34) GRM4
SCHEMBL29480658 0.75 GRM4 (0.34) GRM4
SCHEMBL22735775 0.75 FEN1 (0.31) GRM4HTR2BMTNR1AKCNH2FEN1

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
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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