SCHEMBL3396503

SCHEMBL3396503

CC(C)(C=O)Cc1c[nH]c2ncc(-c3cccc(N4CCC(O)C4)c3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.39
MAPK1 P28482 3/20 0.35
ABL1 P00519 1/20 0.35
PIM1 P11309 3/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
F10 P00742 1/20 0.33
ATR Q13535 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
LRRK2 Q5S007 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL3398973 0.96 JAK3 (0.40) JAK3MAPK1ABL1PIM1CARM1
SCHEMBL3397048 0.93 JAK3 (0.39) JAK3MAPK1AXLMERTKATR
SCHEMBL3397161 0.91 JAK3 (0.38) JAK3MAPK1CARM1PRMT6PRMT8
SCHEMBL3396252 0.90 JAK3 (0.38) JAK3MAPK1PIM1CARM1PRMT6
SCHEMBL3394004 0.90 JAK3 (0.38) JAK3MAPK1PIM1CARM1PRMT6
SCHEMBL3393905 0.89 MCHR1 (0.37) JAK3MERTKATRBTKITK
SCHEMBL3396539 0.89 JAK3 (0.36) JAK3MAPK1CARM1PRMT6PRMT8
SCHEMBL3393312 0.89 PIM1 (0.41) JAK3PIM1CARM1PRMT6PRMT8
SCHEMBL3395609 0.88 PRKCA (0.41) JAK3MAPK1PIM1CARM1PRMT6
SCHEMBL3399453 0.88 JAK3 (0.36) JAK3MAPK1CARM1PRMT6PRMT8

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