SCHEMBL4247240

SCHEMBL4247240

Cc1nn2c(=O)n(Cc3ccccc3)c([C@H](NCCCNC(=O)OC(C)(C)C)C(C)C)cc2c1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.40
KIF11 P52732 1/20 0.37
BRD4 O60885 9/20 0.37
DYRK1A Q13627 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 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
SCHEMBL4247238 1.00 GNRHR (0.40) GNRHRKIF11BRD4DYRK1ASIGMAR1
SCHEMBL4248792 0.91 GNRHR (0.38) GNRHRKIF11BRD4DYRK1ASIGMAR1
SCHEMBL4248789 0.91 GNRHR (0.38) GNRHRKIF11BRD4DYRK1ASIGMAR1
SCHEMBL4252319 0.90 BRD4 (0.39) GNRHRKIF11BRD4DYRK1ANPSR1
SCHEMBL4252323 0.90 BRD4 (0.39) GNRHRKIF11BRD4DYRK1ANPSR1
SCHEMBL4250470 0.86 GNRHR (0.39) GNRHRKIF11BRD4DYRK1ANPSR1
SCHEMBL4250472 0.86 GNRHR (0.39) GNRHRKIF11BRD4DYRK1ANPSR1
SCHEMBL4253648 0.85 BRD4 (0.39) GNRHRKIF11BRD4SIGMAR1CCNC
SCHEMBL4253643 0.85 BRD4 (0.39) GNRHRKIF11BRD4SIGMAR1CCNC
SCHEMBL4250123 0.85 KIF11 (0.39) GNRHRKIF11BRD4DYRK1ASIGMAR1

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