SCHEMBL13689481

SCHEMBL13689481

C=C(c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(I)c3)nc12)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.35
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL2275635 0.90 DGAT1 (0.38) DGAT1BRD4CREBBP
SCHEMBL2277097 0.81 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL2279764 0.80 DGAT1 (0.33) DGAT1BRD4CREBBP
SCHEMBL2279371 0.80 DGAT1 (0.39) DGAT1
SCHEMBL3399612 0.80 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL1894283 0.79 DGAT1 (0.38) DGAT1BRD4CREBBP
SCHEMBL12372516 0.79 DGAT1 (0.38) DGAT1BRD4CREBBP
SCHEMBL12449975 0.79 DGAT1 (0.33) DGAT1
SCHEMBL12372355 0.78 DGAT1 (0.42) DGAT1
SCHEMBL2281749 0.78 JAK3 (0.39) DGAT1BRD4CREBBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed