SCHEMBL3393312

SCHEMBL3393312

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.41
BPTF Q12830 1/20 0.40
JAK3 P52333 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
CDC42BPB Q9Y5S2 2/20 0.34
CDC42BPA Q5VT25 1/20 0.34
SYK P43405 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CDK2 P24941 1/20 0.32
FLT4 P35916 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PRKCD Q05655 1/20 0.32
PAK1 Q13153 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32

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
SCHEMBL3396252 0.92 JAK3 (0.38) PIM1JAK3IRAK4SYKCARM1
SCHEMBL3394004 0.92 JAK3 (0.38) PIM1JAK3IRAK4SYKCARM1
SCHEMBL3397161 0.89 JAK3 (0.38) JAK3CARM1PRMT6PRMT8
SCHEMBL3396503 0.89 JAK3 (0.39) PIM1JAK3IRAK4CARM1PRMT6
SCHEMBL3395609 0.88 PRKCA (0.41) PIM1JAK3PIM2ROCK2ROCK1
SCHEMBL3398973 0.88 JAK3 (0.40) PIM1JAK3IRAK4ROCK2ROCK1
SCHEMBL3393905 0.87 MCHR1 (0.37) JAK3ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL3396539 0.87 JAK3 (0.36) JAK3CARM1PRMT6PRMT8
SCHEMBL3395555 0.87 JAK3 (0.37) PIM1JAK3PIM2SYKCARM1
SCHEMBL3399453 0.86 JAK3 (0.36) JAK3CARM1PRMT6PRMT8

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