SCHEMBL3397161

SCHEMBL3397161

CC1CCN(c2cccc(-c3cnc4[nH]cc(CC(C)(C)C=O)c4n3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.38
LRRK2 Q5S007 12/20 0.36
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
MAPK1 P28482 1/20 0.33
MAP4K1 Q92918 1/20 0.33
JAK2 O60674 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
JAK1 P23458 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
SCHEMBL3396503 0.91 JAK3 (0.39) JAK3LRRK2CARM1PRMT6PRMT8
SCHEMBL2341240 0.90 LRRK2 (0.38) JAK3LRRK2CARM1PRMT6PRMT8
SCHEMBL3399453 0.90 JAK3 (0.36) JAK3LRRK2CARM1PRMT6PRMT8
SCHEMBL3398973 0.90 JAK3 (0.40) JAK3LRRK2CARM1PRMT6PRMT8
SCHEMBL3396252 0.89 JAK3 (0.38) JAK3LRRK2CARM1PRMT6PRMT8
SCHEMBL3396539 0.89 JAK3 (0.36) JAK3LRRK2CARM1PRMT6PRMT8
SCHEMBL3393905 0.89 MCHR1 (0.37) JAK3JAK2
SCHEMBL3393312 0.89 PIM1 (0.41) JAK3CARM1PRMT6PRMT8
SCHEMBL3394004 0.89 JAK3 (0.38) JAK3LRRK2CARM1PRMT6PRMT8
SCHEMBL3399410 0.89 JAK3 (0.36) JAK3MAPK1MAP4K1

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