SCHEMBL8640829

SCHEMBL8640829

Cc1cn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O.N[C@@H](C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8638733 1.00 EGFR (0.42) EGFRSRCJAK2JAK1PARP1
SCHEMBL8300349 1.00 EGFR (0.42) EGFRSRCJAK2JAK1PARP1
SCHEMBL8639265 0.88 SRC (0.43) EGFRSRCGPR119MAPT
SCHEMBL8304914 0.88 SRC (0.43) EGFRSRCGPR119MAPT
SCHEMBL8639604 0.76 USP30 (0.44) EGFRSRCJAK2JAK1L3MBTL1
SCHEMBL14193 0.72 SRC (0.44) EGFRSRCPARP1MAPT
SCHEMBL16707781 0.71 JAK2 (0.53) JAK2JAK1GPR119
SCHEMBL31085811 0.71 SMN1; SMN2 (0.55) JAK2JAK1PARP1L3MBTL1GPR119
SCHEMBL21069737 0.71 SMN1; SMN2 (0.55) JAK2JAK1PARP1L3MBTL1GPR119
SCHEMBL22609548 0.71 SMN1; SMN2 (0.55) JAK2JAK1PARP1L3MBTL1GPR119

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
US-5849893-A Nucleic acid-binding oligomers possessing C-branching for therapy and diagnostics BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed