SCHEMBL4250128

SCHEMBL4250128

CC[C@H](C)[C@H](NCCCNC(=O)OC(C)(C)C)c1cc2c(Cl)c(C)nn2c(=O)n1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
GNRHR P30968 1/20 0.36
BRD4 O60885 8/20 0.36
SIGMAR1 Q99720 2/20 0.36
JAK2 O60674 1/20 0.35
S1PR4 O95977 1/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DYRK1A Q13627 1/20 0.35
SYK P43405 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL4250123 1.00 KIF11 (0.39) KIF11GNRHRBRD4SIGMAR1JAK2
SCHEMBL4248792 0.93 GNRHR (0.38) KIF11GNRHRBRD4SIGMAR1NPSR1
SCHEMBL4248789 0.93 GNRHR (0.38) KIF11GNRHRBRD4SIGMAR1NPSR1
SCHEMBL4252319 0.92 BRD4 (0.39) KIF11GNRHRBRD4NPSR1DYRK1A
SCHEMBL4252323 0.92 BRD4 (0.39) KIF11GNRHRBRD4NPSR1DYRK1A
SCHEMBL4252736 0.90 KIF11 (0.40) KIF11GNRHRBRD4SIGMAR1NPSR1
SCHEMBL4252742 0.90 KIF11 (0.40) KIF11GNRHRBRD4SIGMAR1NPSR1
SCHEMBL4250472 0.88 GNRHR (0.39) KIF11GNRHRBRD4LMNAHPGD
SCHEMBL4250470 0.88 GNRHR (0.39) KIF11GNRHRBRD4LMNAHPGD
SCHEMBL4252650 0.85 GNRHR (0.36) KIF11GNRHRBRD4SIGMAR1

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-2035426-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2009-03-18 EP disclosed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 WO disclosed