SCHEMBL1494537

SCHEMBL1494537

C[Si](C)(C)CCOCn1c(C2CC2)nc(-c2ccnc(Cl)n2)c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.34
MAPK10 P53779 2/20 0.32
MAPT P10636 1/20 0.32
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
MAPK13 O15264 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKCG P05129 1/20 0.30
CDK1 P06493 1/20 0.30
LYN P07948 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
CDK2 P24941 1/20 0.30
MARK3 P27448 1/20 0.30
MAPK1 P28482 1/20 0.30
AKT2 P31751 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
MAPK8 P45983 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
SCHEMBL1494600 0.86 DGAT1 (0.33) DGAT1MAPK10MAPTPLK4CHEK1
SCHEMBL1494642 0.84 CYP2D6 (0.34) DGAT1MAPTGSK3BMAPK14
SCHEMBL1494633 0.82 DGAT1 (0.32) DGAT1
SCHEMBL1494638 0.82 MAPK10 (0.31) DGAT1MAPK10MAPTPLK4CHEK1
SCHEMBL1494656 0.77 ALOX5AP (0.33) MAPK10PLK4CHEK1MAPK13DAPK3
SCHEMBL1494588 0.75 DGAT1 (0.32) DGAT1
SCHEMBL6526498 0.73 MAPK14 (0.35) DGAT1MAPK10MAPTMAPK13CDK1
SCHEMBL6521486 0.72 MAPT (0.34) DGAT1MAPTMAPK14
SCHEMBL87554 0.71 DGAT1 (0.34) DGAT1MAPT
SCHEMBL1494466 0.71 MAPT (0.31) DGAT1MAPT

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