SCHEMBL3395892

SCHEMBL3395892

CCNC1CCN(c2cccc(-c3cnc4[nH]cc(CC(C)(C)C=O)c4n3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
AKT1 P31749 1/20 0.36
JAK3 P52333 5/20 0.36
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
CDC42BPB Q9Y5S2 3/20 0.36
CDC42BPA Q5VT25 2/20 0.36
ZAP70 P43403 1/20 0.34
VCP P55072 7/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL3397161 0.89 JAK3 (0.38) CARM1PRMT6PRMT8JAK3
SCHEMBL3396503 0.88 JAK3 (0.39) CARM1PRMT6PRMT8JAK3
SCHEMBL3398973 0.87 JAK3 (0.40) CARM1PRMT6PRMT8JAK3ROCK2
SCHEMBL3393312 0.86 PIM1 (0.41) CARM1PRMT6PRMT8JAK3ROCK2
SCHEMBL3393905 0.86 MCHR1 (0.37) JAK3ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL3396252 0.86 JAK3 (0.38) CARM1PRMT6PRMT8JAK3
SCHEMBL3394004 0.86 JAK3 (0.38) CARM1PRMT6PRMT8JAK3
SCHEMBL3396539 0.86 JAK3 (0.36) CARM1PRMT6PRMT8JAK3
SCHEMBL3395609 0.86 PRKCA (0.41) CARM1PRMT6PRMT8JAK3ROCK2
SCHEMBL3399453 0.86 JAK3 (0.36) CARM1PRMT6PRMT8JAK3VCP

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