SCHEMBL4250472

SCHEMBL4250472

Cc1nn2c(=O)n(Cc3ccccc3)c([C@H](NCCNC(=O)OC(C)(C)C)C(C)C)cc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.39
BRD4 O60885 4/20 0.38
KIF11 P52732 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
IDO1 P14902 1/20 0.35
CYP2C9 P11712 1/20 0.34
PTGER1 P34995 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4A O75164 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
SCHEMBL4250470 1.00 GNRHR (0.39) GNRHRBRD4KIF11MALT1IDO1
SCHEMBL4252319 0.95 BRD4 (0.39) GNRHRBRD4KIF11NPSR1L3MBTL1
SCHEMBL4248792 0.95 GNRHR (0.38) GNRHRBRD4KIF11IDO1NPSR1
SCHEMBL4248789 0.95 GNRHR (0.38) GNRHRBRD4KIF11IDO1NPSR1
SCHEMBL4252323 0.95 BRD4 (0.39) GNRHRBRD4KIF11NPSR1L3MBTL1
SCHEMBL4250123 0.88 KIF11 (0.39) GNRHRBRD4KIF11HPGDHTT
SCHEMBL4250128 0.88 KIF11 (0.39) GNRHRBRD4KIF11HPGDHTT
SCHEMBL4247238 0.86 GNRHR (0.40) GNRHRBRD4KIF11IDO1ALDH1A1
SCHEMBL4247240 0.86 GNRHR (0.40) GNRHRBRD4KIF11IDO1ALDH1A1
SCHEMBL4054984 0.85 KIF11 (0.39) GNRHRBRD4KIF11MALT1IDO1

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