SCHEMBL3395585

SCHEMBL3395585

CC(C)(C=O)Cc1c[nH]c2ncc(-c3cccc(CN4CCC(Cc5ccccc5)C4)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.36
ACP1 P24666 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
JAK3 P52333 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3398863 0.88 PRKACA (0.45) JAK3
SCHEMBL3399506 0.88 HTR2C (0.40) JAK3
SCHEMBL3399527 0.85 CNR2 (0.38) ACP1JAK3MAPK1ACHE
SCHEMBL3391981 0.85 JAK3 (0.36) DRD2DRD4DRD3JAK3MAPK1
SCHEMBL3398118 0.85 MAP4K4 (0.39) JAK3
SCHEMBL3396467 0.84 CNR2 (0.39) JAK3ACHE
SCHEMBL3399133 0.84 TNIK (0.43)
SCHEMBL2277738 0.83 JAK3 (0.49) CCR3ACP1SLC6A2SLC6A4SLC6A3
SCHEMBL3395505 0.81 JAK3 (0.35) JAK3MAPK1ACHEGRIN1GRIN2B
SCHEMBL3399068 0.80 JAK3 (0.36) JAK3MAPK1

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