SCHEMBL6944605

SCHEMBL6944605

COc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 1.00
KDR P35968 12/20 0.74
FLT1 P17948 6/20 0.74
FGFR1 P11362 4/20 0.74
FLT4 P35916 3/20 0.74
EPHB2 P29323 1/20 0.74
RET P07949 5/20 0.72
KIF5B P33176 5/20 0.72
FGFR2 P21802 1/20 0.70
FGFR4 P22455 1/20 0.70
FGFR3 P22607 1/20 0.70
SRC P12931 3/20 0.69
RIPK2 O43353 1/20 0.69
NOD1 Q9Y239 1/20 0.69
EPHA2 P29317 2/20 0.67
EPHB4 P54760 2/20 0.67
AURKA O14965 1/20 0.67
ERBB2 P04626 1/20 0.67
INSR P06213 1/20 0.67
FBP1 P09467 1/20 0.67

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
SCHEMBL6782656 0.90 EGFR (0.82) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5958891 0.90 KDR (0.84) EGFRKDRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL7211029 0.89 KDR (0.83) EGFRKDRFLT1FGFR1FLT4
SCHEMBL3012896 0.85 KDR (1.00) EGFRKDRFLT1FGFR1FLT4
SCHEMBL29365791 0.85 KDR (1.00) EGFRKDRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL7867640 0.84 KDR (0.98) EGFRKDRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL30078372 0.84 KDR (0.98) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5958939 0.84 KDR (1.00) EGFRKDRFLT1FGFR1FLT4
SCHEMBL906537 0.83 EPHA2 (0.87) EGFRKDRFLT1EPHA2EPHB4
SCHEMBL7209641 0.83 KDR (1.00) EGFRKDRFLT1FGFR1FLT4

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-1180034-A4 NOVEL EPIDERMAL GROWTH FACTOR RECEPTOR-BINDING COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY HADASIT MED RES SERVICE (IL) 2003-05-14 EP disclosed
EP-1180034-A1 NOVEL EPIDERMAL GROWTH FACTOR RECEPTOR-BINDING COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LIMITED (IL) 2002-02-20 EP disclosed
WO-2000072849-A1 NOVEL EPIDERMAL GROWTH FACTOR RECEPTOR-BINDING COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2000-12-07 WO disclosed
US-6126917-A RADIOLABELED COMPOUND HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2000-10-03 US disclosed