SCHEMBL12490674

SCHEMBL12490674

Nc1ccccc1CCNc1nccc(-c2cnc3c(NC4CCC(N)CC4)nccn23)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 14/20 0.59
▸ MAPK8 P45983 3/20 0.44
▸ MAPK9 P45984 3/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ CDK1 P06493 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 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
SCHEMBL12522895 0.85 FLT3 (0.63) FLT3MAPK8MAPK9
SCHEMBL12272016 0.85 FLT3 (0.63) FLT3MAPK8MAPK9
SCHEMBL12272384 0.85 FLT3 (0.80) FLT3MAPK8MAPK9CDK1CCNE1
SCHEMBL12522785 0.85 FLT3 (0.80) FLT3MAPK8MAPK9CDK1CCNE1
SCHEMBL12522894 0.79 FLT3 (0.83) FLT3MAPK8MAPK9CCNE1CDK2
SCHEMBL12273002 0.79 FLT3 (0.83) FLT3MAPK8MAPK9CCNE1CDK2
SCHEMBL12272584 0.78 FLT3 (0.71) FLT3MAPK8MAPK9
SCHEMBL12522707 0.78 FLT3 (0.71) FLT3MAPK8MAPK9
SCHEMBL12272241 0.77 FLT3 (0.82) FLT3MAPK8MAPK9
SCHEMBL12490669 0.77 FLT3 (0.57) FLT3MAPK8MAPK9

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-2686319-A1 IMIDAZO PYRAZINES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 — — EP disclosed
WO-2012123470-A1 IMIDAZO PYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
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