SCHEMBL4252650

SCHEMBL4252650

Cc1nn2c(=O)n(Cc3ccccc3)c(C(NCCCNC(=O)OC(C)(C)C)C3CC3)cc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.36
KIF11 P52732 1/20 0.36
BRD4 O60885 9/20 0.36
SIGMAR1 Q99720 2/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ACE P12821 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.34
SCD O00767 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
SCHEMBL4248640 0.97 KMT2A (0.39) GNRHRKIF11BRD4SIGMAR1ACACB
SCHEMBL4248792 0.87 GNRHR (0.38) GNRHRKIF11BRD4SIGMAR1L3MBTL1
SCHEMBL4252736 0.87 KIF11 (0.40) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4248789 0.87 GNRHR (0.38) GNRHRKIF11BRD4SIGMAR1L3MBTL1
SCHEMBL4252742 0.87 KIF11 (0.40) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4252323 0.85 BRD4 (0.39) GNRHRKIF11BRD4L3MBTL1
SCHEMBL4252319 0.85 BRD4 (0.39) GNRHRKIF11BRD4L3MBTL1
SCHEMBL4250123 0.85 KIF11 (0.39) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4250128 0.85 KIF11 (0.39) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4250472 0.82 GNRHR (0.39) GNRHRKIF11BRD4KMT2AL3MBTL1

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