SCHEMBL8309768

SCHEMBL8309768

COc1cc2c(Nc3ccc(OCc4ccccn4)c(C)c3)ncnc2cc1OCC(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.84
ERBB2 P04626 3/20 0.84
ATM Q13315 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.55
CLK1 P49759 1/20 0.54
LCK P06239 2/20 0.53
KDR P35968 6/20 0.53
EPHA2 P29317 3/20 0.53
EPHB4 P54760 2/20 0.53
RET P07949 3/20 0.52
KIF5B P33176 2/20 0.52
BRAF P15056 1/20 0.51
TNNI3K Q59H18 1/20 0.51
ERBB4 Q15303 1/20 0.51
LRRK2 Q5S007 1/20 0.51

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
SCHEMBL8306859 0.92 EGFR (1.00) EGFRERBB2ATMABCG2CLK1
Hydrochloric Acid SCHEMBL8309362 0.91 EGFR (0.98) EGFRERBB2ATMABCG2CLK1
SCHEMBL8307435 0.85 EGFR (0.83) EGFRERBB2ATMABCG2CLK1
SCHEMBL8304947 0.84 EGFR (0.81) EGFRERBB2ATMABCG2CLK1
SCHEMBL8309982 0.84 EGFR (0.85) EGFRERBB2ATMABCG2CLK1
SCHEMBL5126379 0.84 EGFR (0.85) EGFRERBB2ATMABCG2CLK1
SCHEMBL8307018 0.84 EGFR (0.85) EGFRERBB2ATMABCG2CLK1
SCHEMBL8309599 0.84 EGFR (0.84) EGFRERBB2ATMABCG2CLK1
SCHEMBL8308774 0.84 EGFR (0.84) EGFRERBB2ATMABCG2CLK1
SCHEMBL8308821 0.83 EGFR (0.80) EGFRERBB2ATMABCG2CLK1

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