SCHEMBL2115111

SCHEMBL2115111

COc1ccc(COc2c(Br)cnc3c2c(-c2ccccc2OC)cn3COCC[Si](C)(C)C)cc1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(O)c12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
DGAT1 O75907 1/20 0.34
MAP4K1 Q92918 1/20 0.31
CTSA P10619 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
SCHEMBL2112279 0.78 CTSA (0.39) ABL1DGAT1CTSA
SCHEMBL2114140 0.78 DGAT1 (0.42) DGAT1
SCHEMBL2600613 0.78 ABL1 (0.53) ABL1MAP4K1CTSA
SCHEMBL2112187 0.72 ABL1 (0.53) ABL1MAP4K1CTSA
SCHEMBL2600635 0.71 ABL1 (0.53) ABL1MAP4K1CTSA
SCHEMBL2600623 0.71 ABL1 (0.51) ABL1MAP4K1CTSA
SCHEMBL2113505 0.70 ABL1 (0.52) ABL1MAP4K1CTSA
SCHEMBL2113615 0.70 ABL1 (0.52) ABL1MAP4K1CTSA
SCHEMBL2600614 0.70 ABL1 (0.52) ABL1MAP4K1CTSA
SCHEMBL2600675 0.70 ABL1 (0.51) ABL1MAP4K1CTSA

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
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed