SCHEMBL4056720

SCHEMBL4056720

Cc1nn2c(=O)n(Cc3ccccc3)c([C@H](NCCCCNC(=O)OC(C)(C)C)C(C)C)nc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
BRD4 O60885 9/20 0.39
ADORA3 P0DMS8 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4056718 1.00 KIF11 (0.41) KIF11BRD4ADORA3NPSR1L3MBTL1
SCHEMBL4050591 0.98 KIF11 (0.41) KIF11BRD4ADORA3
SCHEMBL4055834 0.98 KIF11 (0.41) KIF11BRD4ADORA3
SCHEMBL4054974 0.95 KIF11 (0.39) KIF11BRD4ADORA3
SCHEMBL4054984 0.95 KIF11 (0.39) KIF11BRD4ADORA3
SCHEMBL4049089 0.90 KIF11 (0.39) KIF11BRD4ADORA3TLR7
SCHEMBL4252319 0.85 BRD4 (0.39) KIF11BRD4NPSR1L3MBTL1MAPT
SCHEMBL4252323 0.85 BRD4 (0.39) KIF11BRD4NPSR1L3MBTL1MAPT
SCHEMBL4056075 0.85 KIF11 (0.40) KIF11BRD4NPSR1L3MBTL1TLR7
SCHEMBL4056076 0.85 KIF11 (0.40) KIF11BRD4NPSR1L3MBTL1TLR7

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-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 EP disclosed