SCHEMBL4252319

SCHEMBL4252319

Cc1nn2c(=O)n(Cc3ccccc3)c(C(NCCCCNC(=O)OC(C)(C)C)C(C)C)cc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.39
GNRHR P30968 1/20 0.38
KIF11 P52732 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4252323 1.00 BRD4 (0.39) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4248789 0.98 GNRHR (0.38) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4248792 0.98 GNRHR (0.38) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4250472 0.95 GNRHR (0.39) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4250470 0.95 GNRHR (0.39) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4250123 0.92 KIF11 (0.39) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4250128 0.92 KIF11 (0.39) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4247238 0.90 GNRHR (0.40) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4247240 0.90 GNRHR (0.40) BRD4GNRHRKIF11NPSR1DYRK1A
SCHEMBL4252742 0.87 KIF11 (0.40) BRD4GNRHRKIF11NPSR1DYRK1A

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