SCHEMBL14744385

SCHEMBL14744385

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(CCl)ccc34)nc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 7/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DGAT1 O75907 3/20 0.32
PDE5A O76074 1/20 0.31
SYK P43405 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
SCHEMBL14743918 0.90 DGAT1 (0.34) MAPTMAPK1DGAT1
SCHEMBL14744226 0.86 SYK (0.34) MAPTMAPK1DGAT1SYK
SCHEMBL14744327 0.84 AURKA (0.35) DGAT1
SCHEMBL14737439 0.84 MAPK1 (0.32) MAPTTRPA1MAPK1DGAT1SYK
SCHEMBL14744517 0.83 SYK (0.42) MAPTMAPK1DGAT1SYK
SCHEMBL14744269 0.83 PARP1 (0.39) MAPK1
SCHEMBL14744289 0.82 DGAT1 (0.33) MAPTDGAT1SYK
SCHEMBL14743741 0.82 KLKB1 (0.33) MAPTMAPK1DGAT1SYK
SCHEMBL14747034 0.82 PDE4A (0.37) MAPTMAPK1ALDH1A1
SCHEMBL14738342 0.82 SYK (0.43) MAPTMAPK1DGAT1SYK

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-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed