SCHEMBL17166901

SCHEMBL17166901

Cc1cc(Br)ccc1Nc1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.53
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GFER P55789 1/20 0.49
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EGFR P00533 4/20 0.43
ERBB2 P04626 1/20 0.43
DDX3X O00571 2/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL9950077 0.83 GAA (0.52) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL16588368 0.82 RAPGEF4 (0.54) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL17863893 0.81 GAA (0.59) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL5082029 0.80 DDX3X (0.62) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL17508316 0.78 RAPGEF4 (0.57) RAPGEF4GAAMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL17508234 0.77 RAPGEF4 (0.56) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL17506802 0.77 RAPGEF4 (0.56) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL16588367 0.76 RAPGEF4 (0.48) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL16588349 0.75 RAPGEF4 (0.50) RAPGEF4GAAMEN1MAPTKMT2A
SCHEMBL3323396 0.75 MAPT (0.51) GAAMEN1MAPTKMT2ATDP1

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
EP-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP disclosed