SCHEMBL6980010

SCHEMBL6980010

COc1cc2c(NC(=S)Nc3c(F)cccc3F)ncnc2cc1OCCCC1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.53
EGFR P00533 6/20 0.53
FGFR1 P11362 5/20 0.53
FLT1 P17948 5/20 0.53
FLT4 P35916 5/20 0.53
RET P07949 10/20 0.47
KIF5B P33176 7/20 0.47
BRD4 O60885 1/20 0.45
ERBB2 P04626 1/20 0.45
ERBB4 Q15303 1/20 0.45
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44

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
SCHEMBL6984858 0.88 KDR (0.45) KDREGFRFGFR1FLT1FLT4
SCHEMBL4687801 0.80 RET (0.66) KDREGFRFGFR1FLT1FLT4
SCHEMBL4689357 0.79 KDR (0.67) KDREGFRFGFR1FLT1FLT4
SCHEMBL4690872 0.79 EGFR (0.58) KDREGFRFGFR1FLT1FLT4
SCHEMBL7619208 0.76 KDR (0.44) KDREGFRFGFR1FLT1FLT4
SCHEMBL7146877 0.75 SRC (0.65) KDREGFRFGFR1FLT1FLT4
SCHEMBL4593476 0.75 ENPP1 (0.59) KDREGFRFGFR1FLT1FLT4
SCHEMBL4590452 0.75 ENPP1 (0.59) KDREGFRFGFR1FLT1FLT4
SCHEMBL6986140 0.75 KDR (0.48) KDREGFRFGFR1FLT1FLT4
SCHEMBL6984111 0.75 FGFR1 (0.43) KDREGFRFGFR1FLT1FLT4

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