SCHEMBL8307447

SCHEMBL8307447

COc1cc2ncnc(Nc3ccc(OCc4cccnc4)c(C)c3)c2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.76
EPHA2 P29317 4/20 0.76
EPHB4 P54760 3/20 0.76
FLT1 P17948 2/20 0.76
EGFR P00533 10/20 0.71
ERBB2 P04626 2/20 0.71
RET P07949 6/20 0.63
KIF5B P33176 4/20 0.63
CLK1 P49759 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
LCK P06239 2/20 0.59
GAK O14976 2/20 0.58
RIPK2 O43353 1/20 0.55
STK10 O94804 1/20 0.55
FLT3 P36888 1/20 0.55
JAK3 P52333 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
Q6ZSR9 Q6ZSR9 1/20 0.55
SLK Q9H2G2 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55

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
SCHEMBL7459697 0.89 KDR (0.74) KDREPHA2EPHB4FLT1EGFR
Hydrochloric Acid SCHEMBL8809576 0.88 EGFR (0.76) KDREPHA2EGFRERBB2RET
SCHEMBL8308795 0.88 KDR (0.74) KDREPHA2EPHB4FLT1EGFR
SCHEMBL906880 0.87 EPHA2 (1.00) KDREPHA2EPHB4FLT1EGFR
SCHEMBL7452916 0.85 KDR (0.69) KDREPHA2EPHB4FLT1EGFR
SCHEMBL6187570 0.84 KDR (0.85) KDREPHA2EPHB4FLT1EGFR
SCHEMBL8306859 0.83 EGFR (1.00) KDRFLT1EGFRERBB2RET
SCHEMBL4380853 0.83 RET (0.74) KDREPHA2EPHB4FLT1EGFR
SCHEMBL4378156 0.83 KDR (0.71) KDREPHA2EPHB4FLT1EGFR
SCHEMBL4868547 0.82 KDR (0.76) KDREPHA2EPHB4FLT1EGFR

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