SCHEMBL5500057

SCHEMBL5500057

COc1cc2c(NC(=O)Nc3c(C)cccc3C)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.71
KDR P35968 18/20 0.71
RET P07949 2/20 0.61
KIF5B P33176 1/20 0.61
BRAF P15056 1/20 0.60
FGFR1 P11362 1/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56

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
SCHEMBL5496725 0.93 KDR (0.62) EGFRKDRRETKIF5BBRAF
SCHEMBL5496174 0.91 EGFR (0.69) EGFRKDRRETKIF5BBRAF
SCHEMBL4418947 0.89 EGFR (0.60) EGFRKDRBRAFFGFR1
SCHEMBL5496194 0.85 KDR (0.67) EGFRKDRRETKIF5BFGFR1
SCHEMBL4422030 0.84 EGFR (0.57) EGFRKDRBRAF
SCHEMBL5494771 0.84 EGFR (0.53) EGFRKDRBRAF
SCHEMBL5498285 0.83 BRAF (0.70) EGFRKDRRETKIF5BBRAF
SCHEMBL4689817 0.82 SRC (0.64) EGFRKDRRETKIF5BBRAF
SCHEMBL4690799 0.82 SRC (0.64) EGFRKDRRETKIF5BBRAF
SCHEMBL4421074 0.80 KDR (0.57) EGFRKDRRETKIF5BBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP claimed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US claimed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP claimed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO claimed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed