SCHEMBL3395447

SCHEMBL3395447

CC(C)(C=O)Cc1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(N4CCC(O)CC4)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.36
F10 P00742 1/20 0.32
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
PDE5A O76074 1/20 0.31
S1PR1 P21453 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCQ Q04759 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
ATR Q13535 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
SCHEMBL3394044 0.89 DGAT1 (0.37) DGAT1PDE5A
SCHEMBL3398798 0.89 DGAT1 (0.34) DGAT1
SCHEMBL3394446 0.88 DGAT1 (0.33) DGAT1BRD4CREBBP
SCHEMBL3395725 0.86 DGAT1 (0.34) DGAT1TYRO3BRD4CREBBP
SCHEMBL2273709 0.84 DGAT1 (0.40) DGAT1F10AXLFLT3TYRO3
SCHEMBL3399612 0.84 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL3398477 0.83 DGAT1 (0.32) DGAT1
SCHEMBL3395608 0.81 DGAT1 (0.32) DGAT1
SCHEMBL3391911 0.80 DGAT1 (0.30) DGAT1
SCHEMBL2273028 0.78 DGAT1 (0.36) DGAT1AXLFLT3TYRO3MERTK

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-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed