SCHEMBL8307435

SCHEMBL8307435

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OCCN(C)C

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.83
ERBB2 P04626 1/20 0.83
KDR P35968 8/20 0.56
RET P07949 1/20 0.53
CLK1 P49759 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
ATM Q13315 1/20 0.53
LCK P06239 1/20 0.53
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52

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
SCHEMBL8304947 0.96 EGFR (0.81) EGFRERBB2KDRRETCLK1
SCHEMBL8306859 0.91 EGFR (1.00) EGFRERBB2KDRRETCLK1
Hydrochloric Acid SCHEMBL8309362 0.90 EGFR (0.98) EGFRERBB2KDRRETCLK1
SCHEMBL8309420 0.87 EGFR (0.67) EGFRERBB2LCK
SCHEMBL8309768 0.85 EGFR (0.84) EGFRERBB2KDRRETCLK1
SCHEMBL3807444 0.84 ERBB2 (0.66) EGFRERBB2
SCHEMBL13946642 0.84 EGFR (0.62) EGFRERBB2KDRRETFGFR1
SCHEMBL8307018 0.84 EGFR (0.85) EGFRERBB2KDRRETCLK1
SCHEMBL5126379 0.84 EGFR (0.85) EGFRERBB2KDRRETCLK1
SCHEMBL8309982 0.84 EGFR (0.85) EGFRERBB2KDRRETCLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed