SCHEMBL2728973

SCHEMBL2728973

NC(=O)c1cnccc1NCc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.64
RPS6KB1 P23443 2/20 0.64
HSD17B10 Q99714 3/20 0.55
KDR P35968 3/20 0.54
FLT1 P17948 2/20 0.54
AURKB Q96GD4 1/20 0.54
HPGD P15428 3/20 0.54
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PDE5A O76074 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
PABPC1 P11940 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ROCK2 O75116 1/20 0.48
MAPK8 P45983 1/20 0.47

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
SCHEMBL665733 0.78 RPS6KB1 (1.00) AURKARPS6KB1KDRAURKBHPGD
SCHEMBL2728976 0.78 AURKA (0.67) AURKARPS6KB1HSD17B10KDRAURKB
SCHEMBL3795994 0.77 HDAC3 (0.76) AURKARPS6KB1HSD17B10AURKBHPGD
SCHEMBL12120507 0.76 RPS6KB1 (0.71) AURKARPS6KB1KDRAURKBHPGD
SCHEMBL7012861 0.76 RPS6KB1 (0.55) AURKARPS6KB1HPGDKDM4EALDH1A1
SCHEMBL27847518 0.75 KDM4C (0.67) AURKARPS6KB1KDM4EALDH1A1GAA
SCHEMBL25256103 0.75 CDC7 (0.52) AURKARPS6KB1AURKBKDM4EALDH1A1
SCHEMBL8300985 0.74 FLT1 (0.65) AURKAHSD17B10KDRFLT1HPGD
SCHEMBL9283376 0.74 KDR (0.62) AURKARPS6KB1HSD17B10KDRHPGD
SCHEMBL3714861 0.74 MAPT (0.64) AURKARPS6KB1HDAC3HDAC1HDAC2

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
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP claimed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO claimed