SCHEMBL4248640

SCHEMBL4248640

Cc1nn2c(=O)n(Cc3ccccc3)c(C(NCCCNC(=O)OC(C)(C)C)C3CCC3)cc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GNRHR P30968 1/20 0.36
KIF11 P52732 1/20 0.36
BRD4 O60885 8/20 0.35
SIGMAR1 Q99720 2/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
ACE P12821 1/20 0.34
CNR2 P34972 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
KCNH2 Q12809 1/20 0.34
EEF2K O00418 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
SCHEMBL4252650 0.97 GNRHR (0.36) KMT2AL3MBTL1GNRHRKIF11BRD4
SCHEMBL4248792 0.86 GNRHR (0.38) L3MBTL1GNRHRKIF11BRD4SIGMAR1
SCHEMBL4248789 0.86 GNRHR (0.38) L3MBTL1GNRHRKIF11BRD4SIGMAR1
SCHEMBL4252736 0.86 KIF11 (0.40) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4252742 0.86 KIF11 (0.40) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4252319 0.84 BRD4 (0.39) L3MBTL1GNRHRKIF11BRD4
SCHEMBL4252323 0.84 BRD4 (0.39) L3MBTL1GNRHRKIF11BRD4
SCHEMBL4250123 0.84 KIF11 (0.39) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4250128 0.84 KIF11 (0.39) GNRHRKIF11BRD4SIGMAR1
SCHEMBL4250470 0.81 GNRHR (0.39) KMT2AL3MBTL1GNRHRKIF11BRD4

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