SCHEMBL28058618

SCHEMBL28058618

NNc1nc(-c2ccncn2)nc(-c2ccncn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 3/20 0.39
HSP90AA1 P07900 1/20 0.38
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.35
AGTR1 P30556 1/20 0.35
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
MAPK9 P45984 2/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
RAF1 P04049 1/20 0.33
ADORA2B P29275 2/20 0.33
LATS2 Q9NRM7 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM5A P29375 1/20 0.33
JMJD1C Q15652 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL19409904 0.73 HSP90AA1 (0.45) LATS1HSP90AA1P2RX7KDM4ETDP1
SCHEMBL28038682 0.73 HSP90AA1 (0.50) LATS1HSP90AA1KDM4ETDP1MAPK11
SCHEMBL28058707 0.72 MAPT (0.42) LATS1KDM4EMAPTAGTR1LATS2
SCHEMBL28058623 0.71 LATS1 (0.40) LATS1HSP90AA1P2RX7MAPK14MAPK9
SCHEMBL25295479 0.71 TP53 (0.48) LATS1HSP90AA1P2RX7MAPTMAPK11
SCHEMBL29430257 0.71 TP53 (0.48) LATS1HSP90AA1P2RX7MAPTMAPK11
SCHEMBL5989213 0.71 HSP90AA1 (0.44) LATS1HSP90AA1P2RX7MAPTMAPK11
SCHEMBL30595872 0.70 HSP90AA1 (0.52) LATS1HSP90AA1P2RX7KDM4EMAPT
SCHEMBL2814353 0.70 HSP90AA1 (0.52) LATS1HSP90AA1P2RX7KDM4EMAPT
SCHEMBL6449580 0.69 HSP90AA1 (0.42) LATS1HSP90AA1KDM4ETDP1MAPK11

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
CN-105473570-A Diaminoheteroaryl substituted pyrazoles Bayer Pharma AG 2016-04-06 CN claimed
CN-105473570-A Diaminoheteroaryl substituted pyrazoles Bayer Pharma AG 2016-04-06 CN disclosed