SCHEMBL8307102

SCHEMBL8307102

Cc1cc(Nc2ncnc3ccc(O)cc23)ccc1OCc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.76
ERBB2 P04626 11/20 0.76
LCK P06239 1/20 0.62
AURKA O14965 1/20 0.52
RPS6KB1 P23443 1/20 0.52
ERBB4 Q15303 2/20 0.51
ERBB3 P21860 1/20 0.51
RET P07949 3/20 0.49
KDR P35968 3/20 0.49
KIF5B P33176 2/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
CDK2 P24941 1/20 0.49
PIK3R1 P27986 1/20 0.49
EPHB2 P29323 1/20 0.49
TTBK1 Q5TCY1 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
GAK O14976 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49

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
SCHEMBL4560407 0.90 EGFR (0.76) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL8309272 0.90 EGFR (0.76) EGFRERBB2LCKAURKARPS6KB1
Hydrochloric Acid SCHEMBL6185804 0.89 EGFR (0.75) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL5568971 0.88 ERBB2 (0.76) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL8308380 0.88 EGFR (0.82) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL8307018 0.87 EGFR (0.85) EGFRERBB2LCKAURKAERBB4
SCHEMBL8309982 0.87 EGFR (0.85) EGFRERBB2LCKERBB4RET
SCHEMBL8306859 0.87 EGFR (1.00) EGFRERBB2LCKERBB4RET
SCHEMBL8307584 0.86 ERBB2 (0.68) EGFRERBB2LCKAURKARPS6KB1
Hydrochloric Acid SCHEMBL8309362 0.86 EGFR (0.98) EGFRERBB2LCKERBB4RET

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