SCHEMBL2480229

SCHEMBL2480229

C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NC3CCCN(C(=O)CI)C3)cnc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.47
JAK3 P52333 12/20 0.47
JAK1 P23458 8/20 0.41
MAPK1 P28482 3/20 0.35
GRIN2B Q13224 2/20 0.32
USP30 Q70CQ3 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL2476079 0.98 JAK2 (0.45) JAK2JAK3JAK1MAPK1GRIN2B
SCHEMBL2478338 0.95 JAK2 (0.41) JAK2JAK3JAK1GRIN2BDGAT1
SCHEMBL2378776 0.93 JAK2 (0.48) JAK2JAK3JAK1MAPK1
SCHEMBL2377757 0.92 JAK2 (0.46) JAK2JAK3JAK1MAPK1USP30
SCHEMBL2376961 0.92 JAK2 (0.57) JAK2JAK3JAK1MAPK1
SCHEMBL2376949 0.92 JAK2 (0.57) JAK2JAK3JAK1MAPK1
SCHEMBL2378351 0.92 JAK2 (0.57) JAK2JAK3JAK1MAPK1
SCHEMBL2377271 0.91 JAK2 (0.46) JAK2JAK3JAK1MAPK1USP30
SCHEMBL2377207 0.91 JAK2 (0.48) JAK2JAK3JAK1MAPK1USP30
SCHEMBL2377450 0.91 JAK2 (0.48) JAK2JAK3JAK1MAPK1USP30

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-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed