SCHEMBL4690213

SCHEMBL4690213

COc1cc2ncnc(NC(=S)Nc3c(C)cccc3C)c2cc1OC1CCOC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.55
ERBB2 P04626 3/20 0.55
EPHA2 P29317 3/20 0.55
EPHB4 P54760 3/20 0.55
EGFR P00533 8/20 0.51
SOS1 Q07889 6/20 0.51
KRAS P01116 1/20 0.46
PDE10A Q9Y233 1/20 0.43
RET P07949 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
CDK2 P24941 1/20 0.43
PIK3R1 P27986 1/20 0.43
EPHB2 P29323 1/20 0.43
KIF5B P33176 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
NOD1 Q9Y239 1/20 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
SCHEMBL4686907 0.95 EGFR (0.57) KDRERBB2EPHA2EPHB4EGFR
SCHEMBL4690909 0.86 EGFR (0.46) KDRERBB2EPHA2EPHB4EGFR
SCHEMBL4689353 0.81 KDR (0.55) KDRERBB2EPHA2EPHB4EGFR
SCHEMBL4693053 0.80 RET (0.62) KDRERBB2EPHA2EPHB4RET
SCHEMBL4693034 0.80 RET (0.59) KDRERBB2EPHA2EPHB4RET
SCHEMBL5828725 0.78 FLT1 (0.62) KDRERBB2EPHB4EGFRRET
SCHEMBL5832489 0.78 FLT1 (0.62) KDRERBB2EPHB4EGFRRET
SCHEMBL4693023 0.78 RET (0.61) KDREPHA2EPHB4EGFRRET
SCHEMBL4690872 0.78 EGFR (0.58) KDRERBB2EPHA2EPHB4EGFR
SCHEMBL4689817 0.77 SRC (0.64) KDREGFRRETKIF5B

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-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed
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