SCHEMBL7103670

SCHEMBL7103670

CC(CO)(CO)NC(=O)c1cnc(C(=O)NC(C)(CO)CO)cn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
CNR2 P34972 13/20 0.47
GABRA1 P14867 2/20 0.39
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL7652101 0.83 KMT2A (0.55) KMT2ACNR2KDM4E
SCHEMBL7103507 0.81 KMT2A (0.53) KMT2ACNR2GABRA1CNR1KDM4E
SCHEMBL7107999 0.80 CNR2 (0.44) KMT2ACNR2GABRA1CNR1KDM4E
SCHEMBL7656385 0.78 KMT2A (0.56) KMT2ACNR2KDM4E
SCHEMBL8052528 0.77 KMT2A (0.47) KMT2ACNR2CNR1KDM4E
SCHEMBL18130923 0.76 CNR2 (0.52) CNR2GABRA1CNR1
SCHEMBL7656633 0.74 KMT2A (0.45) KMT2ACNR2KDM4E
SCHEMBL2629263 0.72 NPC1 (0.51) KMT2AKDM4E
SCHEMBL7105213 0.72 CNR2 (0.39) CNR2CNR1KDM4E
SCHEMBL6417609 0.70 KDM4E (0.56) KMT2ACNR2CNR1KDM4E

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-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP disclosed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed