SCHEMBL320734

SCHEMBL320734

CN1CCC(n2cc(-c3cncc(-c4ccncc4)c3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.51
MELK Q14680 1/20 0.46
NTRK1 P04629 1/20 0.45
DYRK1A Q13627 9/20 0.44
GSK3B P49841 6/20 0.44
WNT1 P04628 2/20 0.44
BRAF P15056 2/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
MAP4K3 Q8IVH8 1/20 0.42
DRD2 P14416 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL30576672 0.81 PIK3CD (0.47) MELKDYRK1AMAP4K3MKNK1
SCHEMBL320961 0.79 MET (0.47) METNTRK1DYRK1AGSK3BWNT1
SCHEMBL10153117 0.78 NTRK1 (0.51) METNTRK1DYRK1AGSK3BWNT1
SCHEMBL31276806 0.78 DYRK1A (0.47) METNTRK1DYRK1AGSK3BWNT1
SCHEMBL31669134 0.78 MKNK1 (0.51) METDYRK1AGSK3BWNT1CLK2
SCHEMBL319690 0.77 MET (0.52) METNTRK1DYRK1AGSK3BWNT1
Hydrochloric Acid SCHEMBL320673 0.77 NTRK1 (0.51) METNTRK1DYRK1AGSK3BWNT1
SCHEMBL320680 0.75 MET (0.46) METNTRK1DYRK1AGSK3BWNT1
SCHEMBL2364303 0.74 MET (0.41) METNTRK1DYRK1AGSK3BWNT1
SCHEMBL17303134 0.72 MET (0.42) METNTRK1MAP4K3MKNK1MKNK2

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-2590946-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES Merck Patent GmbH (DE) 2013-05-15 EP disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed