SCHEMBL3407549

SCHEMBL3407549

CC(C)Oc1cc(-c2nn(C(N)=O)c3cc[c]cc23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
METAP2 P50579 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ATR Q13535 2/20 0.32
RORC P51449 1/20 0.32
KIT P10721 1/20 0.31
MAP3K14 Q99558 1/20 0.31
ACVR2A P27037 1/20 0.31
TGFBR2 P37173 1/20 0.31
MTOR P42345 1/20 0.31
ACACB O00763 4/20 0.31
PLCG1 P19174 1/20 0.31

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
SCHEMBL15661778 0.89 PKN1 (0.36) MAPK1ATRMAP3K14MTOR
SCHEMBL3410413 0.87 SRC (0.34) KITMAP3K14ACACB
SCHEMBL15662428 0.84 MAPK1 (0.35) MAPK1RORCACACB
SCHEMBL4222585 0.83 MAPK1 (0.39) MAPK1MAP3K14
SCHEMBL3148317 0.82 PARP10 (0.39) RORC
SCHEMBL3258224 0.77 ADORA2A (0.37) MAPK1MAP3K14
SCHEMBL15662420 0.73 MAPT (0.37)
SCHEMBL4221224 0.72 RORC (0.36) MAPK1RORCMAP3K14TGFBR2
SCHEMBL3138154 0.72 RORC (0.36) MAPK1RORCMAP3K14TGFBR2
SCHEMBL15662904 0.71 RORC (0.32) RORC

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-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
EP-2260031-A1 COMPOUNDS THAT ARE ERK INHIBITORS Schering Corporation (US) 2010-12-15 EP disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO disclosed