SCHEMBL6774801

SCHEMBL6774801

CCc1cccc(CC)c1NC(=O)Nc1ncnc2cc(OCCCN3CCC(CNC(=O)OC(C)(C)C)CC3)c(OC)cc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.51
KDR P35968 6/20 0.51
AURKA O14965 10/20 0.50
BRAF P15056 5/20 0.49
RAF1 P04049 3/20 0.48
AURKB Q96GD4 2/20 0.48

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
SCHEMBL5494771 0.93 EGFR (0.53) EGFRKDRAURKABRAFRAF1
SCHEMBL4427451 0.92 EGFR (0.52) EGFRKDRAURKABRAF
SCHEMBL5500589 0.92 AURKA (0.54) EGFRKDRAURKABRAFAURKB
SCHEMBL4431208 0.90 EGFR (0.53) EGFRKDRAURKABRAF
SCHEMBL4431432 0.82 ADRA2A (0.47) AURKABRAFRAF1
SCHEMBL4418947 0.79 EGFR (0.60) EGFRKDRAURKABRAFRAF1
SCHEMBL4421074 0.79 KDR (0.57) EGFRKDRAURKABRAFAURKB
SCHEMBL4417552 0.79 EGFR (0.59) EGFRKDRAURKABRAF
SCHEMBL4422588 0.78 FLT4 (0.55) EGFRKDRAURKABRAFRAF1
SCHEMBL4422030 0.76 EGFR (0.57) EGFRKDRAURKABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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