SCHEMBL9901449

SCHEMBL9901449

Cc1nc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2Cl)cs1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.41
FEN1 P39748 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SCN9A Q15858 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
SCHEMBL9901254 0.93 NMT1 (0.39) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9905168 0.92 NMT1 (0.40) NMT1FEN1HTR2AHTR2CSLC6A4
SCHEMBL9902126 0.86 NMT1 (0.37) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9110613 0.85 MAPKAPK2 (0.38) NMT1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL9901297 0.85 BRD4 (0.31)
SCHEMBL9904956 0.85 MAPKAPK2 (0.41) NMT1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL9905341 0.84 NMT1 (0.36) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9905679 0.83 MAPK14 (0.38) KDM5BALDH1A1TSHR
SCHEMBL9111410 0.83 NMT1 (0.33) NMT1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL9901769 0.82 MAOB (0.36) ALDH1A1

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-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP claimed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO claimed