SCHEMBL3398889

SCHEMBL3398889

CC(C)(C=O)Cc1c[nH]c2ncc(Nc3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.44
JAK3 P52333 9/20 0.41

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
SCHEMBL2342156 0.78 SYK (0.46) SYKJAK3
SCHEMBL3396108 0.77
SCHEMBL3395483 0.77 MAPK1 (0.47)
SCHEMBL3399031 0.76 ALOX5AP (0.36) SYK
SCHEMBL2343779 0.75 MAPK1 (0.36) SYKJAK3
SCHEMBL3400025 0.74 JAK3 (0.32) JAK3
SCHEMBL3394454 0.74 JAK3 (0.41) SYKJAK3
SCHEMBL3396844 0.73 NOS1 (0.40) SYK
SCHEMBL3397744 0.73 NPC1 (0.41) SYKJAK3
SCHEMBL2338768 0.73 JAK3 (0.64) SYKJAK3

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-2250172-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009106443-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed