SCHEMBL12527183

SCHEMBL12527183

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5cccc(Cl)c5)n4)cnc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.74
▸ CCNT1 O60563 5/20 0.46
▸ TTK P33981 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.42
▸ BRD4 O60885 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL12272302 1.00 FLT3 (0.74) FLT3CCNT1TTKADORA3BRD4
SCHEMBL12527715 0.93 FLT3 (0.64) FLT3TTKADORA3ACHEBACE1
SCHEMBL12272831 0.93 FLT3 (0.64) FLT3TTKADORA3ACHEBACE1
SCHEMBL12272704 0.93 FLT3 (0.74) FLT3CCNT1TTKADORA3
SCHEMBL12527196 0.93 FLT3 (0.74) FLT3CCNT1TTKADORA3
SCHEMBL12522788 0.92 FLT3 (0.72) FLT3CCNT1TTKACHE
SCHEMBL12272664 0.92 FLT3 (0.72) FLT3CCNT1TTKACHE
SCHEMBL12522709 0.88 FLT3 (0.58) FLT3CCNT1TTKADORA3
SCHEMBL12272885 0.88 FLT3 (0.58) FLT3CCNT1TTKADORA3
SCHEMBL12522706 0.87 FLT3 (0.59) FLT3CCNT1TTKADORA3

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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