SCHEMBL1494633

SCHEMBL1494633

C[Si](C)(C)CCOCn1c(C2CC2)nc(-c2ccnc(CCC#N)n2)c1Br

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.32

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
SCHEMBL6526484 0.88 DGAT1 (0.30) DGAT1
SCHEMBL1494537 0.82 DGAT1 (0.34) DGAT1
SCHEMBL1494642 0.79 CYP2D6 (0.34) DGAT1
SCHEMBL1494698 0.73 BRAF (0.37)
SCHEMBL1494588 0.70 DGAT1 (0.32) DGAT1
SCHEMBL6526498 0.69 MAPK14 (0.35) DGAT1
SCHEMBL1494600 0.69 DGAT1 (0.33) DGAT1
SCHEMBL6521486 0.68 MAPT (0.34) DGAT1
SCHEMBL6520486 0.67 BRAF (0.38)
SCHEMBL6518143 0.67 BRAF (0.39)

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-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 EP disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed