SCHEMBL1694671

SCHEMBL1694671

COC(=O)c1c(OC)c(CCBr)nc2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.51
DHODH Q02127 7/20 0.49
TACR3 P29371 1/20 0.42
CASP3 P42574 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRNP P04156 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1694790 0.88 PLA2G2A (0.51) PLA2G2ADHODHTACR3CASP3KDM4E
SCHEMBL1695154 0.87 PLA2G2A (0.54) PLA2G2ADHODHTACR3CASP3KDM4E
SCHEMBL2717114 0.83 DHODH (0.57) PLA2G2ADHODHTACR3CASP3PRNP
SCHEMBL1694918 0.78 DHODH (0.39) PLA2G2ADHODHTACR3CASP3KDM4E
SCHEMBL1694669 0.78 DHODH (0.50) PLA2G2ADHODHTACR3KDM4EALDH1A1
SCHEMBL1695295 0.77 PIK3CD (0.49)
SCHEMBL1694789 0.75 DHODH (0.50) PLA2G2ADHODHTACR3ALDH1A1
SCHEMBL2719787 0.74 DHODH (0.46) PLA2G2ADHODHTACR3KDM4EPRNP
SCHEMBL8890970 0.73 DHODH (0.65) PLA2G2ADHODHCASP3
SCHEMBL2716715 0.72 DHODH (0.60) PLA2G2ADHODHTACR3CASP3PRNP

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-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed