SCHEMBL2017932

SCHEMBL2017932

CS(=O)(=O)OCCc1cc(Cl)c2ccncc2c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
DGAT2 Q96PD7 6/20 0.36
GRM5 P41594 2/20 0.35
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
PLK4 O00444 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
SCN9A Q15858 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL2015154 0.81 TAAR1 (0.41) SLC22A12CSNK2A2CSNK2BDGAT2CYP17A1
SCHEMBL2014653 0.81 CSNK2A2 (0.39) SLC22A12CSNK2A2CSNK2BDGAT2GRM5
SCHEMBL2017931 0.77 SLC22A12 (0.41) SLC22A12CSNK2A2CSNK2BDGAT2GRM5
SCHEMBL2018305 0.70 SCN9A (0.36) SCN9ANR1H2NR1H3
SCHEMBL2014651 0.70 PIK3CD (0.39) SLC22A12CSNK2A2CSNK2BDGAT2GRM5
SCHEMBL2015153 0.70 BCL2 (0.41) SLC22A12CSNK2A2CSNK2BDGAT2GRM5
SCHEMBL4832310 0.68 LOXL2 (0.46) PTGS2PTGS1
SCHEMBL15621376 0.68 PIK3CD (0.38) SLC22A12CSNK2A2CSNK2BDGAT2GRM5
SCHEMBL12470054 0.68 PIK3CD (0.38) SLC22A12CSNK2A2CSNK2BDGAT2GRM5
SCHEMBL2012666 0.66 TAAR1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed