SCHEMBL12524749

SCHEMBL12524749

CC(C)(C)OC(=O)NCCC(Nc1nccc(-c2cnc3c(N[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)nccn23)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.52
▸ MAPK9 P45984 7/20 0.45
▸ TTK P33981 5/20 0.43
▸ MAPK8 P45983 3/20 0.42

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
SCHEMBL12272782 1.00 FLT3 (0.52) FLT3MAPK9TTKMAPK8
SCHEMBL12524765 0.93 FLT3 (0.50) FLT3MAPK9TTKMAPK8
SCHEMBL12273040 0.93 FLT3 (0.50) FLT3MAPK9TTKMAPK8
SCHEMBL12525554 0.92 FLT3 (0.63) FLT3MAPK9TTKMAPK8
SCHEMBL12271759 0.92 FLT3 (0.63) FLT3MAPK9TTKMAPK8
SCHEMBL12522942 0.88 FLT3 (0.63) FLT3MAPK9TTKMAPK8
SCHEMBL12525551 0.85 FLT3 (0.61) FLT3MAPK9TTKMAPK8
SCHEMBL12272792 0.85 FLT3 (0.61) FLT3MAPK9TTKMAPK8
SCHEMBL12272928 0.84 FLT3 (0.60) FLT3MAPK9TTKMAPK8
SCHEMBL12522786 0.84 FLT3 (0.60) FLT3MAPK9TTKMAPK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 — — EP disclosed
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US disclosed
WO-2012123470-A1 IMIDAZO PYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
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