SCHEMBL14744249

SCHEMBL14744249

Cc1cc(F)cc2[nH]nc(-c3cnc4c(n3)c(C(=O)O)cn4COCC[Si](C)(C)C)c12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.32
KLKB1 P03952 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL14738054 0.87 DGAT1 (0.33) DGAT1EGLN1
SCHEMBL14738039 0.86 MAPK1 (0.41) DGAT1
SCHEMBL14743870 0.84 DGAT1 (0.32) DGAT1KLKB1EGLN1
SCHEMBL14752058 0.81 MAP2K4 (0.38) DGAT1
SCHEMBL14743741 0.80 KLKB1 (0.33) DGAT1KLKB1
SCHEMBL14737531 0.80 MAP2K4 (0.41) DGAT1KLKB1
SCHEMBL14747115 0.79 SYK (0.49) DGAT1
SCHEMBL14737990 0.79
SCHEMBL14743918 0.79 DGAT1 (0.34) DGAT1KLKB1
SCHEMBL14737441 0.78 SYK (0.33) DGAT1KLKB1

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