SCHEMBL29480747

SCHEMBL29480747

COC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 14/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ MTNR1A P48039 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
SCHEMBL22735928 0.86 GRM4 (0.33) GRM4KCNH2EGLN1
SCHEMBL29480752 0.86 GRM4 (0.33) GRM4KCNH2EGLN1
SCHEMBL29480658 0.85 GRM4 (0.34) GRM4
SCHEMBL22735779 0.85 GRM4 (0.34) GRM4
SCHEMBL29480762 0.81 MELK (0.38) GRM4EGLN1
SCHEMBL22736011 0.81 GRM4 (0.35) GRM4KCNH2EGLN1
SCHEMBL29480656 0.81 GRM4 (0.35) GRM4KCNH2EGLN1
SCHEMBL29567639 0.79 GRM4 (0.32) GRM4EGLN1
SCHEMBL22736041 0.79 GRM4 (0.32) GRM4EGLN1
SCHEMBL22736069 0.79 GRM4 (0.33) GRM4

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
US-12516056-B2 Compounds for inhibition of janus kinase 1 MANKIND PHARMA LTD. (IN) 2026-01-06 — — US 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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