SCHEMBL9905341

SCHEMBL9905341

Cc1nc(COc2c(C)c(C)n(-c3ccnc(-c4nc(C(C)C)ncc4C)c3)c(=O)c2Br)cs1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.36
FEN1 P39748 1/20 0.32
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL9902126 0.94 NMT1 (0.37) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9905168 0.93 NMT1 (0.40) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9111054 0.87 MAPK14 (0.41)
SCHEMBL9905458 0.87 MAPK14 (0.31)
SCHEMBL9905063 0.86 GRM5 (0.31)
SCHEMBL9905014 0.85
SCHEMBL9905480 0.85 ALOX5AP (0.31) FEN1
SCHEMBL9901449 0.84 NMT1 (0.41) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9901254 0.84 NMT1 (0.39) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9109694 0.84 NMT1 (0.32) NMT1KDM4AKDM4BKDM5CKDM5B

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