SCHEMBL3263499

SCHEMBL3263499

CC(=O)OC1(c2ccc(Nc3nc(N[C@H](C)c4ccccc4)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.43
PLK1 P53350 1/20 0.40
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
SYK P43405 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PFKFB3 Q16875 1/20 0.37
OGG1 O15527 1/20 0.37
TPH1 P17752 1/20 0.36
VCP P55072 1/20 0.36

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
SCHEMBL3264514 1.00 CAMK2D (0.43) CAMK2DPLK1LDHALDHBSYK
SCHEMBL13309649 0.86 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3227477 0.86 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL13309648 0.86 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3421997 0.86 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3264612 0.86 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3420476 0.84 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3234459 0.84 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3420513 0.75 MAPT (0.38) CAMK2DSYKMAPTVCP
SCHEMBL3235616 0.74 SYK (0.40) SYKMAPTVCP

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-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed