SCHEMBL15214859

SCHEMBL15214859

Cc1ccc(-c2cnn(CCN3CCOCC3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
S1PR1 P21453 1/20 0.48
PIK3CA P42336 1/20 0.47
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM5B Q9UGL1 1/20 0.44

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
SCHEMBL11955380 0.86 MAP4K4 (0.48) MAP4K4S1PR1PIK3CAJAK2JAK1
SCHEMBL14320448 0.86 MAP4K4 (0.53) MAP4K4S1PR1PIK3CAJAK2JAK1
SCHEMBL11947309 0.85 SIGMAR1 (0.52) MAP4K4S1PR1PIK3CAJAK2JAK1
SCHEMBL10355225 0.85 S1PR1 (0.56) MAP4K4S1PR1PIK3CAJAK2JAK1
SCHEMBL18082578 0.84 IRAK4 (0.47) MAP4K4S1PR1PIK3CAJAK2JAK1
SCHEMBL22918727 0.83 MAP4K4 (0.48) MAP4K4S1PR1PIK3CAJAK2JAK1
SCHEMBL13354351 0.82 CYP11B2 (0.53) MAP4K4S1PR1PIK3CAJAK2JAK1
SCHEMBL6937374 0.82 JAK2 (0.41) S1PR1JAK2JAK1TYK2JAK3
SCHEMBL16054452 0.80 PIM1 (0.51) MAP4K4S1PR1PIK3CAPIM1PIM3
SCHEMBL22792519 0.79 MAP4K4 (0.52) MAP4K4S1PR1PIK3CAJAK2JAK1

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
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed