SCHEMBL4004013

SCHEMBL4004013

CCC(NCCCNC(=O)OC(C)(C)C)c1nc2c(Cl)cnn2c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
TLR7 Q9NYK1 5/20 0.38
SIGMAR1 Q99720 2/20 0.37
CYP3A4 P08684 1/20 0.37
BRD4 O60885 2/20 0.36
MAPT P10636 1/20 0.36
IL6 P05231 1/20 0.36
P2RX7 Q99572 1/20 0.36
DRD2 P14416 1/20 0.35
SCD O00767 1/20 0.35
PDE1B Q01064 1/20 0.35
SYK P43405 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
SCHEMBL4056075 0.89 KIF11 (0.40) KIF11STK17BSTK17ATLR7SIGMAR1
SCHEMBL4056076 0.89 KIF11 (0.40) KIF11STK17BSTK17ATLR7SIGMAR1
SCHEMBL4054291 0.81 KIF11 (0.62) KIF11
SCHEMBL4000396 0.81 KIF11 (0.69) KIF11
SCHEMBL4056680 0.78 KIF11 (0.56) KIF11CYP3A4
SCHEMBL5863530 0.77 KIF11 (0.47) KIF11TLR7SIGMAR1BRD4MAPT
SCHEMBL4092214 0.77 KIF11 (0.47) KIF11TLR7BRD4MAPTSYK
SCHEMBL4244502 0.77 KIF11 (0.42) KIF11TLR7SIGMAR1BRD4MAPT
SCHEMBL4244493 0.77 KIF11 (0.42) KIF11TLR7SIGMAR1BRD4MAPT
SCHEMBL4102334 0.76 KIF11 (0.46) KIF11TLR7SIGMAR1BRD4MAPT

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
WO-2009074677-A2 PYRAZOLOTRIAZINES 4SC AG (DE) 2009-06-18 WO disclosed
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 EP disclosed