SCHEMBL20145662

SCHEMBL20145662

Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)cc3)n2)cn1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.70
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
CLK1 P49759 1/20 0.52
MERTK Q12866 2/20 0.49
AXL P30530 1/20 0.49

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
SCHEMBL20145422 0.87 MAPK1 (0.79) MAPK1
SCHEMBL16679297 0.82 MAPK1 (1.00) MAPK1
SCHEMBL16679296 0.82 MAPK1 (1.00) MAPK1
SCHEMBL20145640 0.80 MAPK1 (0.68) MAPK1
SCHEMBL20145591 0.79 MAPK1 (0.70) MAPK1
SCHEMBL16679358 0.76 MAPK1 (1.00) MAPK1
SCHEMBL20145780 0.76 MAPK1 (0.74) MAPK1
SCHEMBL3461899 0.76 ATR (0.68) MAPK1
SCHEMBL16680183 0.74 MAPK1 (1.00) MAPK1
SCHEMBL20145526 0.73 MAPK1 (0.86) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed