SCHEMBL11112233

SCHEMBL11112233

N#Cc1cnc2c(cnn2-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SLC2A1 P11166 2/20 0.40
SLC2A2 P11168 2/20 0.40
SLC2A3 P11169 2/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
EGFR P00533 1/20 0.40
CYP2C19 P33261 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
XDH P47989 1/20 0.39
USP7 Q93009 1/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 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
SCHEMBL11087620 0.80 KDM4E (0.50) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11032375 0.76 KDM4E (0.54) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL10339705 0.76 KDM4E (0.50) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11092528 0.74 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11082703 0.72 KDM4E (0.61) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11090510 0.72 PDGFRB (0.55) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11094259 0.72 HTT (0.55) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL29387290 0.71 KDM4E (0.51) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL18366927 0.71 KDM4E (0.51) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11083426 0.70 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1TSHR

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
US-4460773-A ANTITUMOR AGENTS, VIRICIDES LION CORPORATION (JP) 1984-07-17 US disclosed