SCHEMBL997834

SCHEMBL997834

CC(=O)N1CC2(CC2)c2c([nH]c3cncnc23)C1c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.38
RPS6KB1 P23443 4/20 0.37
RXFP1 Q9HBX9 1/20 0.34
AKT1 P31749 1/20 0.34
MAPT P10636 1/20 0.33
HCRTR2 O43614 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
GRIN2B Q13224 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RIPK1 Q13546 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31

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
SCHEMBL997273 0.90 ALDH1A1 (0.37) KIF11RPS6KB1AKT1HCRTR2GRIN2B
SCHEMBL1000821 0.87 KIF11 (0.41) KIF11RPS6KB1RXFP1MAPTTDP1
SCHEMBL999019 0.85 KIF11 (0.38) KIF11RPS6KB1RXFP1AKT1ALDH1A1
SCHEMBL999201 0.84 KIF11 (0.40) KIF11RXFP1MAPTHCRTR2TP53
SCHEMBL998327 0.82 KIF11 (0.42) KIF11RXFP1MAPTTDP1MEN1
SCHEMBL998115 0.82 KIF11 (0.52) KIF11MAPTTDP1MEN1KMT2A
SCHEMBL999416 0.81 KIF11 (0.52) KIF11MAPTKDM4ELMNATP53
SCHEMBL2033145 0.81 KIF11 (0.43) KIF11RXFP1TDP1ALDH1A1HPGD
SCHEMBL2035529 0.81 KIF11 (0.47) KIF11MAPTRIPK1TP53
SCHEMBL2032812 0.80 KIF11 (0.42) KIF11RXFP1HCRTR2TDP1ALDH1A1

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed