SCHEMBL8639265

SCHEMBL8639265

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.43
EGFR P00533 3/20 0.43
ABL1 P00519 2/20 0.40
ABL2 P42684 2/20 0.40
HCAR1 Q9BXC0 1/20 0.38
TP53 P04637 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
DTYMK P23919 1/20 0.37

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
SCHEMBL8304914 1.00 SRC (0.43) SRCEGFRABL1ABL2HCAR1
SCHEMBL8640829 0.88 EGFR (0.42) SRCEGFRMAPTGPR119
SCHEMBL8638733 0.88 EGFR (0.42) SRCEGFRMAPTGPR119
SCHEMBL14193 0.80 SRC (0.44) SRCEGFRABL1ABL2HCAR1
SCHEMBL30087102 0.73 HCAR1 (0.51) SRCEGFRABL1ABL2HCAR1
SCHEMBL13968 0.73 HCAR1 (0.51) SRCEGFRABL1ABL2HCAR1
SCHEMBL21811121 0.73 KDM4E (0.45) SRCEGFRABL1ABL2HCAR1
SCHEMBL8300808 0.72 TK1 (0.39)
SCHEMBL8304127 0.72 TK1 (0.39)
SCHEMBL8298155 0.72 TK1 (0.39)

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