SCHEMBL7135281

SCHEMBL7135281

CNCCCNC(=Nc1ncnc2cc(OCCCC3CCNC3)c(OC)cc12)Nc1c(C)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.38
KDR P35968 6/20 0.36
EGFR P00533 5/20 0.36
FGFR1 P11362 4/20 0.36
FLT1 P17948 4/20 0.36
FLT4 P35916 4/20 0.36
RET P07949 2/20 0.36
KIF5B P33176 1/20 0.36
EPHA2 P29317 5/20 0.36
EHMT2 Q96KQ7 1/20 0.35
EPHB4 P54760 2/20 0.35
RAF1 P04049 1/20 0.35
QPCT Q16769 2/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34

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 0.80 KDR (0.45) KDREGFRFGFR1FLT1FLT4
SCHEMBL7619208 0.76 KDR (0.44) KDREGFRFGFR1FLT1FLT4
SCHEMBL5828489 0.76 EGFR (0.53) KDREGFRFGFR1FLT1FLT4
SCHEMBL5828485 0.76 EGFR (0.53) KDREGFRFGFR1FLT1FLT4
SCHEMBL5828856 0.72 KDR (0.48) KDREGFRFLT1FLT4RET
SCHEMBL5828858 0.72 KDR (0.48) KDREGFRFLT1FLT4RET
SCHEMBL4593476 0.71 ENPP1 (0.59) KITKDREGFRFGFR1FLT1
SCHEMBL4590452 0.71 ENPP1 (0.59) KITKDREGFRFGFR1FLT1
SCHEMBL5829043 0.71 EPHA2 (0.52) KITKDREPHA2EPHB4
SCHEMBL5829045 0.71 EPHA2 (0.52) KITKDREPHA2EPHB4

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