SCHEMBL12527715

SCHEMBL12527715

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.64
▸ MAPK9 P45984 6/20 0.43
▸ MAPK8 P45983 3/20 0.43
▸ TTK P33981 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ADORA3 P0DMS8 1/20 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
SCHEMBL12272831 1.00 FLT3 (0.64) FLT3MAPK9MAPK8TTKACHE
SCHEMBL12527183 0.93 FLT3 (0.74) FLT3TTKACHEBACE1ADORA3
SCHEMBL12272302 0.93 FLT3 (0.74) FLT3TTKACHEBACE1ADORA3
SCHEMBL12272928 0.91 FLT3 (0.60) FLT3MAPK9MAPK8TTK
SCHEMBL12522786 0.91 FLT3 (0.60) FLT3MAPK9MAPK8TTK
SCHEMBL12522945 0.87 FLT3 (0.55) FLT3MAPK9MAPK8
SCHEMBL12272742 0.87 FLT3 (0.55) FLT3MAPK9MAPK8
SCHEMBL12527196 0.85 FLT3 (0.74) FLT3TTKADORA3
SCHEMBL12272704 0.85 FLT3 (0.74) FLT3TTKADORA3
SCHEMBL12522894 0.85 FLT3 (0.83) FLT3MAPK9MAPK8ACHEBACE1

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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