SCHEMBL2222391

SCHEMBL2222391

COCC(C)c1cnc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.38
LPL P06858 6/20 0.38
DGAT1 O75907 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
ALPL P05186 1/20 0.32
EGFR P00533 1/20 0.30
SNCA P37840 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
ESR2 Q92731 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 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
SCHEMBL13274938 0.85 LIPG (0.38) LIPGLPLDGAT1IRAK4AAK1
SCHEMBL2269953 0.81 LIPG (0.39) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL13275186 0.81 LIPG (0.43) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL255643 0.79 CLK4 (0.44) LIPGLPLDGAT1IRAK4ALPL
SCHEMBL255715 0.77 LIPG (0.44) LIPGLPLDGAT1IRAK4KDR
SCHEMBL13275056 0.76 LIPG (0.49) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL2222243 0.75 DGAT1 (0.41) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL2222388 0.75 LIPG (0.38) LIPGLPLDGAT1IRAK4ALPL
SCHEMBL13274705 0.74 LIPG (0.44) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL12516572 0.74 DGAT1 (0.57) LIPGLPLDGAT1PDGFRB

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-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed