SCHEMBL3799109

SCHEMBL3799109

c1cc(NC2CCOCC2)c2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ NR3C2 P08235 1/20 0.44
▸ AR P10275 1/20 0.44
▸ JAK2 O60674 6/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ SYK P43405 8/20 0.43
▸ ZAP70 P43403 4/20 0.43
▸ LYN P07948 3/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ BCHE P06276 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.39
▸ AHR P35869 1/20 0.39

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
SCHEMBL3008793 0.77 GLA (0.47) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL29205591 0.72 CSF1R (0.51) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL3418416 0.72 APEX1 (0.47) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL1898934 0.69 JAK2 (0.48) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL3029525 0.68 BRD4 (0.41) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL3015334 0.68 LRRK2 (0.44) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL15830210 0.68 GAA (0.44) MAPK1BRD4
SCHEMBL410049 0.68 FYN (0.46) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL13085560 0.68 NR3C1 (0.61) NR3C1PGRNR3C2ARBCHE
SCHEMBL565447 0.67 MAPK1 (0.46) JAK2JAK1TYK2JAK3PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 — — EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 — — WO disclosed
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