SCHEMBL6984858

SCHEMBL6984858

COc1cc2c(NC(=S)Nc3c(C)cccc3Cl)ncnc2cc1OCCCC1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.45
EGFR P00533 7/20 0.45
FLT1 P17948 6/20 0.45
FGFR1 P11362 5/20 0.45
FLT4 P35916 5/20 0.45
EPHA2 P29317 10/20 0.44
EPHB4 P54760 7/20 0.43
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42

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
SCHEMBL6980010 0.88 KDR (0.53) KDREGFRFLT1FGFR1FLT4
SCHEMBL7619208 0.84 KDR (0.44) KDREGFRFLT1FGFR1FLT4
SCHEMBL4690872 0.83 EGFR (0.58) KDREGFRFLT1FGFR1FLT4
SCHEMBL4687659 0.81 SRC (0.58) KDREGFRFLT1FGFR1FLT4
SCHEMBL4686372 0.80 EGFR (0.64) KDREGFRFLT1FGFR1FLT4
SCHEMBL7135281 0.80 KIT (0.38) KDREGFRFLT1FGFR1FLT4
SCHEMBL6984111 0.79 FGFR1 (0.43) KDREGFRFLT1FGFR1FLT4
SCHEMBL4689353 0.78 KDR (0.55) KDREGFRFLT1FGFR1FLT4
SCHEMBL4686384 0.78 KDR (0.61) KDREGFRFLT1FGFR1FLT4
SCHEMBL5828725 0.77 FLT1 (0.62) KDREGFRFLT1FGFR1FLT4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed