SCHEMBL5493935

SCHEMBL5493935

COCCSc1ncnc2cc(OCCCN3CCS(=O)(=O)CC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.44
RAF1 P04049 3/20 0.44
AURKA O14965 7/20 0.43
FLT3 P36888 2/20 0.43
CSF1R P07333 1/20 0.43
KIT P10721 1/20 0.43
FLT4 P35916 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SLC6A4 P31645 1/20 0.43
RET P07949 1/20 0.41
AURKB Q96GD4 6/20 0.40
HPGD P15428 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 1/20 0.38
ILK Q13418 1/20 0.38
TNNI3K Q59H18 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL4426235 0.87 BRAF (0.46) BRAFRAF1AURKAFLT3CSF1R
SCHEMBL4420110 0.79 HPGD (0.44) BRAFRAF1AURKAHRH3SLC6A4
SCHEMBL5498277 0.77 BRAF (0.40) BRAFILKTNNI3K
SCHEMBL4424613 0.72 AURKA (0.55) BRAFAURKAFLT3CSF1RKIT
SCHEMBL5502435 0.72 KIT (0.46) FLT3KITAURKB
SCHEMBL4377729 0.70 KDR (0.47) BRAFAURKAFLT3CSF1RKIT
SCHEMBL5498796 0.69 RET (0.41) FLT3RETHPGD
SCHEMBL4505427 0.69 HRH3 (0.54) AURKAHRH3AURKBHPGDSIGMAR1
SCHEMBL4425324 0.69 HRH3 (0.54) AURKAHRH3AURKBHPGDSIGMAR1
SCHEMBL4430403 0.69 KDR (0.55) BRAFRAF1AURKAAURKB

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-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed