SCHEMBL7154199

SCHEMBL7154199

COc1cc2ncnc(Nc3ccccc3CO)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.72
EGFR P00533 7/20 0.68
KDR P35968 7/20 0.68
FLT1 P17948 1/20 0.68
KIF5B P33176 6/20 0.65
LCK P06239 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL12227578 0.89 RET (0.70) RETEGFRKDRFLT1KIF5B
SCHEMBL4110679 0.88 RET (0.68) RETEGFRKDRFLT1KIF5B
SCHEMBL5864732 0.86 KDR (0.69) RETEGFRKDRFLT1KIF5B
SCHEMBL7076160 0.84 RET (1.00) RETEGFRKDRFLT1KIF5B
SCHEMBL8652761 0.83 MAPK1 (0.80) EGFRLCKMAPK1
SCHEMBL27698817 0.82 KDR (0.61) RETEGFRKDRFLT1KIF5B
SCHEMBL6180170 0.82 EGFR (0.76) RETEGFRKDRFLT1KIF5B
SCHEMBL12200787 0.82 RET (0.74) RETEGFRKDRFLT1KIF5B
Hydrochloric Acid SCHEMBL6180124 0.81 EGFR (0.74) RETEGFRKDRFLT1KIF5B
SCHEMBL7116313 0.81 RET (0.73) RETEGFRKDRFLT1KIF5B

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-6638939-B2 Anticancer agents PARKER HUGHES INSTITUTE 2003-10-28 US disclosed