SCHEMBL29480536

SCHEMBL29480536

C=C(C(N)=O)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.35
▸ EGLN1 Q9GZT9 8/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GCG P01275 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ MAP4K4 O95819 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
SCHEMBL29480703 0.80 EGLN1 (0.39) GRM4EGLN1GCGAURKAAURKB
SCHEMBL22735741 0.80 EGLN1 (0.39) GRM4EGLN1GCGAURKAAURKB
SCHEMBL22716885 0.79 GCG (0.39) EGLN1GCGJAK2
SCHEMBL29567469 0.79 GCG (0.39) EGLN1GCGJAK2
SCHEMBL22736280 0.77 GRM4 (0.38) GRM4EGLN1AURKAAURKBINCENP
SCHEMBL29480555 0.77 GRM4 (0.38) GRM4EGLN1AURKAAURKBINCENP
SCHEMBL22736532 0.77 JAK2 (0.35) EGLN1JAK2
SCHEMBL29480674 0.75 JAK2 (0.41) JAK2
SCHEMBL31158292 0.75 GRM4 (0.58) GRM4EGLN1AURKAAURKBINCENP
SCHEMBL22736505 0.75 GRM4 (0.58) GRM4EGLN1AURKAAURKBINCENP

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
US-12516056-B2 Compounds for inhibition of janus kinase 1 MANKIND PHARMA LTD. (IN) 2026-01-06 — — US claimed
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 — — CN claimed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP claimed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN claimed
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