SCHEMBL1035443

SCHEMBL1035443

NC(=O)c1ccnc(-c2ccc(F)cc2C2CCN(Cc3ccc(-c4ncc(Cl)cn4)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.41
AKT2 P31751 5/20 0.41
PRKAA2 P54646 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
GRM2 Q14416 2/20 0.39
CHEK2 O96017 2/20 0.38
F10 P00742 2/20 0.38
SSTR5 P35346 1/20 0.38
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL1034167 0.90 STAT3 (0.41) AKT1AKT2PRKAA2GRM2CHEK2
SCHEMBL1031736 0.86 STAT3 (0.41) AKT1AKT2PRKAA2OPRM1OPRK1
SCHEMBL1847418 0.84 PRKAA2 (0.44) AKT1AKT2PRKAA2OPRM1OPRK1
SCHEMBL2681756 0.78 F10 (0.44) F10SSTR5
SCHEMBL1035444 0.77 F10 (0.47) F10
SCHEMBL1846809 0.77 PRKAA2 (0.42) PRKAA2OPRM1OPRK1GRM2KDM4A
SCHEMBL1035168 0.74 NPY5R (0.41) KDM4AKDM4CKDM5BALOX5APFEN1
SCHEMBL1844021 0.73 WNK1 (0.43) OPRK1CHEK2
SCHEMBL17969664 0.68 PRKAA2 (0.56) PRKAA2
SCHEMBL12482191 0.68 KDM4C (0.40) AKT1AKT2SSTR5KDM4AKDM5A

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-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 WO disclosed