SCHEMBL4967010

SCHEMBL4967010

COc1ccc2c(Nc3cc(NC(=O)c4cccc(CC(C)C#N)c4F)ccc3C)ncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.48
CSF1R P07333 1/20 0.45
AURKB Q96GD4 3/20 0.43
KDR P35968 7/20 0.43
BRAF P15056 3/20 0.42
EGFR P00533 7/20 0.41
AURKA O14965 1/20 0.40

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
SCHEMBL4788091 0.84 BRAF (0.51) MAPK14CSF1RAURKBKDRBRAF
SCHEMBL4750108 0.79 MAPK14 (0.54) MAPK14KDRBRAFEGFR
SCHEMBL4749292 0.76 BRAF (0.58) MAPK14BRAF
SCHEMBL4746679 0.75 BRAF (0.71) MAPK14BRAF
SCHEMBL29459596 0.75 BRAF (0.71) MAPK14BRAF
SCHEMBL4968714 0.75 MAPK14 (0.49) MAPK14AURKBBRAFEGFRAURKA
SCHEMBL4747084 0.74 BRAF (0.57) MAPK14BRAF
SCHEMBL4750071 0.72 BRAF (0.57) MAPK14BRAF
SCHEMBL4750107 0.72 BRAF (0.66) BRAF
SCHEMBL4749632 0.71 BRAF (0.59) MAPK14BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 WO claimed