SCHEMBL9901254

SCHEMBL9901254

Cc1nc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)cs1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.39
FEN1 P39748 1/20 0.33
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9901449 0.93 NMT1 (0.41) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9902126 0.91 NMT1 (0.37) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9111410 0.86 NMT1 (0.33) NMT1KDM4AKDM4BKDM5CKDM5B
SCHEMBL9901167 0.86
SCHEMBL9905322 0.85 GABRG2 (0.31)
SCHEMBL9905168 0.85 NMT1 (0.40) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9902012 0.84
SCHEMBL9905454 0.84 JMJD6 (0.33) FEN1
SCHEMBL9905341 0.84 NMT1 (0.36) NMT1FEN1KDM4AKDM4BKDM5C
SCHEMBL9900820 0.83

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 4 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
EP-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP disclosed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed