SCHEMBL17685318

SCHEMBL17685318

CC(C)(C)C1C(Nc2cccc3nc(Br)nn23)CCCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ JAK1 P23458 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ HCRTR2 O43614 4/20 0.31
▸ HCRTR1 O43613 3/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ AADAT Q8N5Z0 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL17685319 1.00 ALDH1A1 (0.32) ALDH1A1LMNAKDM4EHPGDMAPK1
SCHEMBL17685327 0.80 JAK2 (0.39) JAK1JAK2
SCHEMBL17685326 0.80 JAK2 (0.39) JAK1JAK2
SCHEMBL13504387 0.77 JAK2 (0.36) JAK1JAK2
SCHEMBL13504391 0.77 JAK2 (0.36) JAK1JAK2
SCHEMBL377034 0.71 ALDH1A1 (0.34) ALDH1A1HCRTR2HCRTR1
SCHEMBL17685329 0.70 JAK2 (0.40) JAK1JAK2
SCHEMBL17685328 0.70 JAK2 (0.40) JAK1JAK2
SCHEMBL17027774 0.69 L3MBTL1 (0.40) ALDH1A1LMNAKDM4EHTTL3MBTL1
SCHEMBL29711712 0.69 L3MBTL1 (0.40) ALDH1A1LMNAKDM4EHTTL3MBTL1

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
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 — — EP disclosed
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