SCHEMBL4686384

SCHEMBL4686384

COc1cc2c(NC(=S)Nc3c(C)cccc3Cl)ncnc2cc1OCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.61
EPHA2 P29317 1/20 0.61
EPHB4 P54760 1/20 0.61
EGFR P00533 9/20 0.60
SRC P12931 6/20 0.57
RET P07949 1/20 0.57
FGFR1 P11362 1/20 0.57
FLT1 P17948 1/20 0.57
FLT4 P35916 1/20 0.57
LCK P06239 2/20 0.56
CSK P41240 1/20 0.55
TEK Q02763 1/20 0.55

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
SCHEMBL4686900 0.95 KDR (0.65) KDREPHA2EPHB4EGFRSRC
SCHEMBL4693023 0.94 RET (0.61) KDREPHA2EPHB4EGFRSRC
SCHEMBL4689817 0.91 SRC (0.64) KDREGFRSRCRETLCK
SCHEMBL4690799 0.91 SRC (0.64) KDREGFRSRCRETLCK
SCHEMBL4687659 0.89 SRC (0.58) KDREPHA2EPHB4EGFRSRC
SCHEMBL4688003 0.88 EGFR (0.65) KDREPHA2EPHB4EGFRSRC
SCHEMBL4687883 0.87 EGFR (0.65) KDREPHA2EPHB4EGFRSRC
SCHEMBL4689828 0.87 RET (0.60) KDREPHA2EPHB4EGFRRET
SCHEMBL4686372 0.82 EGFR (0.64) KDREGFRSRCRETFGFR1
SCHEMBL4688694 0.81 ILK (0.51) KDREGFRSRCRETFLT4

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