SCHEMBL4252736

SCHEMBL4252736

CCC(NCCCNC(=O)OC(C)(C)C)c1cc2c(Cl)c(C)nn2c(=O)n1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
GNRHR P30968 1/20 0.38
BRD4 O60885 7/20 0.37
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
SYK P43405 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CTSK P43235 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
DYRK1A Q13627 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
SCHEMBL4252742 1.00 KIF11 (0.40) KIF11GNRHRBRD4MAPTSIGMAR1
SCHEMBL4250123 0.90 KIF11 (0.39) KIF11GNRHRBRD4SIGMAR1SYK
SCHEMBL4250128 0.90 KIF11 (0.39) KIF11GNRHRBRD4SIGMAR1SYK
SCHEMBL4248792 0.89 GNRHR (0.38) KIF11GNRHRBRD4SIGMAR1CCNC
SCHEMBL4248789 0.89 GNRHR (0.38) KIF11GNRHRBRD4SIGMAR1CCNC
SCHEMBL4252323 0.87 BRD4 (0.39) KIF11GNRHRBRD4MAPTNPSR1
SCHEMBL4252319 0.87 BRD4 (0.39) KIF11GNRHRBRD4MAPTNPSR1
SCHEMBL4244502 0.87 KIF11 (0.42) KIF11GNRHRBRD4MAPTSIGMAR1
SCHEMBL4244493 0.87 KIF11 (0.42) KIF11GNRHRBRD4MAPTSIGMAR1
SCHEMBL4252650 0.87 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