SCHEMBL19014231

SCHEMBL19014231

CC(NC(=O)OC(C)(C)C)c1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPK1 P28482 4/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
GRK2 P25098 1/20 0.38
PTPN7 P35236 1/20 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
SCHEMBL19013769 0.89 L3MBTL1 (0.43) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL19013774 0.85 HSD17B10 (0.44) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL19013777 0.84 ALDH1A1 (0.40) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL19013779 0.82 POLB (0.42) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL19013776 0.82 ALDH1A1 (0.41) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL19014029 0.81 ALDH1A1 (0.38) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL19013778 0.81 POLB (0.44) L3MBTL1GAAALDH1A1MAPK1KMT2A
SCHEMBL19013770 0.81 ALDH1A1 (0.38) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL19012270 0.80 AAK1 (0.42) GAAHSD17B10ALDH1A1KMT2ATSHR
SCHEMBL20592269 0.80 AAK1 (0.42) GAAHSD17B10ALDH1A1KMT2ATSHR

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
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed