SCHEMBL14744327

SCHEMBL14744327

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(-c4n[nH]c5cc(CCl)ccc45)nc23)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.35
PDPK1 O15530 6/20 0.35
AURKB Q96GD4 6/20 0.35
JAK1 P23458 4/20 0.34
JAK2 O60674 2/20 0.34
PLK1 P53350 1/20 0.33
TTK P33981 5/20 0.33
KAT8 Q9H7Z6 2/20 0.32
DGAT1 O75907 1/20 0.32
PIK3CD O00329 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
SCHEMBL14744269 0.88 PARP1 (0.39) AURKAPDPK1AURKB
SCHEMBL14744385 0.84 MAPT (0.33) DGAT1
SCHEMBL14743918 0.82 DGAT1 (0.34) DGAT1
SCHEMBL14738230 0.82 SYK (0.43) JAK1JAK2KAT8DGAT1
SCHEMBL14744517 0.79 SYK (0.42) DGAT1
SCHEMBL14737214 0.78 SYK (0.51) JAK1JAK2
SCHEMBL14737213 0.78 SYK (0.51) JAK1JAK2
SCHEMBL14744289 0.77 DGAT1 (0.33) DGAT1
SCHEMBL18524473 0.76 SYK (0.43) JAK1JAK2PLK1
SCHEMBL14738580 0.76 SYK (0.43)

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