SCHEMBL8309434

SCHEMBL8309434

CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)cc3F)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.66
ERBB2 P04626 9/20 0.66
LCK P06239 1/20 0.66
ERBB4 Q15303 2/20 0.55
KDR P35968 1/20 0.49
CCNT1 O60563 1/20 0.47
GSK3B P49841 1/20 0.47
CDK9 P50750 1/20 0.47
DYRK1A Q13627 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
MET P08581 1/20 0.45

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
SCHEMBL8309481 0.88 EGFR (0.50) EGFRERBB2LCKERBB4KDR
SCHEMBL8306485 0.85 EGFR (0.53) EGFRERBB2LCKERBB4KDR
SCHEMBL8308072 0.84 EGFR (0.49) EGFRERBB2LCKERBB4KDR
SCHEMBL8305114 0.83 EGFR (0.49) EGFRERBB2LCKERBB4KDR
SCHEMBL8306919 0.81 KDR (0.65) EGFRERBB2ERBB4KDR
SCHEMBL8309848 0.81 ALDH1A1 (0.57) EGFRERBB2LCKERBB4CCNT1
SCHEMBL8308380 0.80 EGFR (0.82) EGFRERBB2LCKERBB4ABCG2
SCHEMBL8618248 0.79 EGFR (0.52) EGFRERBB2LCKERBB4KDR
SCHEMBL8443996 0.79 CYP3A4 (0.54) EGFRERBB2LCKERBB4KDR
SCHEMBL8782984 0.78 DYRK1A (0.53) EGFRERBB2LCKERBB4KDR

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