SCHEMBL22736297

SCHEMBL22736297

N#CC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ACHE P22303 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.32
▸ MELK Q14680 1/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ TBK1 Q9UHD2 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 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
SCHEMBL29480635 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL22736155 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL22716894 0.88 JAK2 (0.34) GRM4
SCHEMBL29567573 0.88 JAK2 (0.34) GRM4
SCHEMBL22735743 0.86 JAK2 (0.33) GRM4
SCHEMBL29480519 0.86 JAK2 (0.33) GRM4
SCHEMBL22736180 0.84 MAPK1 (0.34) MAPK1MELKGRM4TLR8TLR7
SCHEMBL29567903 0.84 MAPK1 (0.34) MAPK1MELKGRM4TLR8TLR7
SCHEMBL22736083 0.82 GRM4 (0.35) MAPK1GRM4
SCHEMBL29480594 0.82 GRM4 (0.35) MAPK1GRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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