SCHEMBL28058623

SCHEMBL28058623

NNc1nc(-c2ccncn2)ncc1-c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 3/20 0.40
ADORA2B P29275 7/20 0.37
MAP4K4 O95819 3/20 0.36
EGFR P00533 2/20 0.36
FRK P42685 2/20 0.36
MAPK9 P45984 2/20 0.36
CSNK1A1 P48729 2/20 0.36
ADORA1 P30542 4/20 0.36
FLT3 P36888 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MAP4K5 Q9Y4K4 2/20 0.35
DCLK1 O15075 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKACA P17612 1/20 0.35
GSK3B P49841 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
SLK Q9H2G2 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CSNK1D P48730 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL28058704 0.72 PIK3CA (0.41) LATS1ADORA1GSK3BADORA2ALATS2
SCHEMBL28058618 0.71 LATS1 (0.39) LATS1ADORA2BMAPK9ADORA1MAPK10
SCHEMBL29430257 0.65 TP53 (0.48) LATS1MAP4K4EGFRFRKMAPK9
SCHEMBL25295479 0.65 TP53 (0.48) LATS1MAP4K4EGFRFRKMAPK9
SCHEMBL5989213 0.65 HSP90AA1 (0.44) LATS1MAP4K4EGFRFRKMAPK9
SCHEMBL2814353 0.64 HSP90AA1 (0.52) LATS1MAP4K4EGFRFRKMAPK9
SCHEMBL30595872 0.64 HSP90AA1 (0.52) LATS1MAP4K4EGFRFRKMAPK9
SCHEMBL28038682 0.64 HSP90AA1 (0.50) LATS1ADORA2BMAPK9ADORA1GSK3B
SCHEMBL19409904 0.64 HSP90AA1 (0.45) LATS1ADORA2BMAPK9ADORA1MAPK10
SCHEMBL5270117 0.64 NNMT (0.43) MAP4K4ADORA3P2RX7HSP90AA1

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