SCHEMBL5233165

SCHEMBL5233165

Cc1c(C(=O)O)sc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCOCC3)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
TYMS P04818 4/20 0.48
LTA4H P09960 4/20 0.48
VDR P11473 4/20 0.48
SRC P12931 4/20 0.48
MAPK1 P28482 4/20 0.48
CTSK P43235 4/20 0.48
TP53 P04637 2/20 0.44
MDM2 Q00987 2/20 0.44
POLB P06746 1/20 0.43
PTGS2 P35354 2/20 0.41
GRIN2B Q13224 1/20 0.41
PIK3CA P42336 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
SLC2A2 P11168 1/20 0.40
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2989236 0.87 EGFR (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995608 0.85 EGFR (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL2990716 0.85 EGFR (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL2992076 0.85 EGFR (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL2994297 0.84 EGFR (0.42) EGFRTYMSLTA4HVDRSRC
SCHEMBL2997790 0.84 EGFR (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995093 0.83 EGFR (0.42) EGFRTYMSLTA4HVDRSRC
SCHEMBL5233169 0.83 EGFR (0.45) EGFRTYMSLTA4HVDRSRC
SCHEMBL2986511 0.83 MAPK1 (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL2988708 0.81 EGFR (0.41) EGFRTYMSLTA4HVDRSRC

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-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed