SCHEMBL14744289

SCHEMBL14744289

CC(C)(C)Cc1ccc2c(-c3cnc4c(n3)c(C(=O)O)cn4COCC[Si](C)(C)C)n[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.33
SYK P43405 1/20 0.32
KLKB1 P03952 1/20 0.32
MAPT P10636 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
SCHEMBL14743918 0.91 DGAT1 (0.34) DGAT1KLKB1MAPT
SCHEMBL14743741 0.91 KLKB1 (0.33) DGAT1SYKKLKB1MAPT
SCHEMBL14737531 0.88 MAP2K4 (0.41) DGAT1SYKKLKB1MAPT
SCHEMBL14738039 0.88 MAPK1 (0.41) DGAT1MAPT
SCHEMBL14752058 0.86 MAP2K4 (0.38) DGAT1
SCHEMBL14744517 0.84 SYK (0.42) DGAT1SYKMAPT
SCHEMBL14744385 0.82 MAPT (0.33) DGAT1SYKMAPT
SCHEMBL14738089 0.81 DGAT1 (0.32) DGAT1SYKKLKB1
SCHEMBL14737773 0.81 SYK (0.43) DGAT1SYKMAPT
SCHEMBL14747115 0.80 SYK (0.49) DGAT1SYK

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