SCHEMBL3261597

SCHEMBL3261597

Cc1nnc2[nH]c(=O)[nH]c(=O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
BLM P54132 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PABPC1 P11940 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
PMP22 Q01453 1/20 0.46
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 3/20 0.38

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
SCHEMBL8720542 0.75 KDM4E (0.53) KDM4EBLMTDP1ALDH1A1CYP1A2
SCHEMBL31214551 0.73 MAPT (0.62) KDM4EBLMTDP1ALDH1A1CYP1A2
Lumichrome SCHEMBL29861572 0.68 BLM (0.64) KDM4EBLMTDP1ALDH1A1CYP1A2
Lumichrome SCHEMBL29516827 0.68 BLM (0.64) KDM4EBLMTDP1ALDH1A1CYP1A2
Lumichrome SCHEMBL194906 0.68 BLM (0.64) KDM4EBLMTDP1ALDH1A1CYP1A2
SCHEMBL5309140 0.65 KDM4E (0.53) KDM4EBLMTDP1ALDH1A1CYP1A2
SCHEMBL7822136 0.65 BLM (0.47) KDM4EBLMTDP1ALDH1A1CYP1A2
SCHEMBL2180718 0.64 APAF1 (0.50) KDM4EBLMTDP1ALDH1A1CYP1A2
SCHEMBL498704 0.64 BLM (0.66) KDM4EBLMTDP1ALDH1A1CYP1A2
SCHEMBL4320247 0.64 KDM4E (0.57) KDM4EBLMTDP1ALDH1A1CYP1A2

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-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO disclosed