SCHEMBL20220482

SCHEMBL20220482

O=C(NS(=O)(=O)c1ccc(N2CCC(O)C2)cc1)c1cnn2ccc(N3CCCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 3/20 0.49
ABL1 P00519 1/20 0.38
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
IRAK4 Q9NWZ3 6/20 0.37
FLT3 P36888 4/20 0.36
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ACACB O00763 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL19562927 0.86 EPHB3 (0.56) EPHB3IRAK4FLT3L3MBTL1
SCHEMBL20220366 0.86 EPHB3 (0.59) EPHB3FLT3L3MBTL1
SCHEMBL16292524 0.84 NTRK1 (0.43)
SCHEMBL15039642 0.84 NTRK1 (0.43)
SCHEMBL16292929 0.83 NTRK1 (0.51)
SCHEMBL15039640 0.83 NTRK1 (0.51)
SCHEMBL19562597 0.80 EPHB3 (0.57) EPHB3IRAK4FLT3
SCHEMBL20220418 0.79 EPHB3 (0.54) EPHB3USP30IRAK4KEAP1NFE2L2
SCHEMBL19562733 0.79 EPHB3 (0.59) EPHB3FLT3GFERL3MBTL1
SCHEMBL19562568 0.76 EPHB3 (0.50) EPHB3

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-2791138-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2018-06-06 EP disclosed