SCHEMBL4640091

SCHEMBL4640091

CCC(CC)c1ccc(C(F)(F)F)c2c1[nH]c(=O)n2C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
AR P10275 1/20 0.31
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL2085633 0.89 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1ARPDE2A
SCHEMBL2085441 0.74 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2084414 0.73 CRHR1 (0.40) CSNK2A2CSNK2BCSNK2A1ALDH1A1BRAF
SCHEMBL2085120 0.73 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL3215105 0.71 DAO (0.44) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL2085651 0.71 DAO (0.38) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2084897 0.70 L3MBTL1 (0.36) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL2085547 0.68 PLAT (0.34) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL2082774 0.68 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL2085548 0.68 PLAT (0.34) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO disclosed