SCHEMBL3235572

SCHEMBL3235572

CC(C)(C)Nc1cc(-c2ccccc2)nc(Nc2ccc(C(C(N)=O)C3(C(=O)O)CCC3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
VCP P55072 5/20 0.35
ADORA1 P30542 5/20 0.35
IDH2 P48735 1/20 0.35
PLK1 P53350 2/20 0.35
MAPT P10636 2/20 0.33
OGG1 O15527 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL3419382 0.81 SYK (0.43) SYKMAPK8MAPK10VCPADORA1
SCHEMBL3234022 0.81 SYK (0.42) SYKMAPK8MAPK10VCPADORA1
Dimethylamine SCHEMBL3266676 0.79 SYK (0.40) SYKMAPK8MAPK10VCPADORA1
SCHEMBL3264006 0.79 SYK (0.42) SYKMAPK8MAPK10VCPADORA1
SCHEMBL3265292 0.78 SYK (0.43) SYKMAPK8MAPK10VCPADORA1
SCHEMBL3263101 0.78 SYK (0.41) SYKMAPK8MAPK10VCPADORA1
SCHEMBL13456931 0.78 SYK (0.39) SYKMAPK8MAPK10VCPADORA1
SCHEMBL3236168 0.76 AKT1 (0.40) SYKMAPK8MAPK10VCPADORA1
SCHEMBL3415621 0.76 SYK (0.40) SYKMAPK8MAPK10VCPADORA1
SCHEMBL3228688 0.76 SYK (0.40) SYKMAPK8MAPK10VCPADORA1

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