SCHEMBL5213732

SCHEMBL5213732

Cc1ccc(NC(=O)c2cccc(CC(C)C#N)c2)cc1-n1cnc2cc(-c3cncnc3)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
TEK Q02763 4/20 0.43
SLC2A1 P11166 5/20 0.43
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL5212728 0.88 MAPK14 (0.50) MAPK14TEKSLC2A1
SCHEMBL4882167 0.83 BRAF (0.55) MAPK14
SCHEMBL5211714 0.83 MAPK14 (0.55) MAPK14
SCHEMBL5219276 0.82 MAPK14 (0.48) MAPK14TEK
SCHEMBL5212033 0.81 MAPK14 (0.48) MAPK14TEK
SCHEMBL5219223 0.81 MAPK14 (0.47) MAPK14TEK
SCHEMBL5212161 0.80 MAPK14 (0.47) MAPK14TEK
SCHEMBL4885445 0.77 BRAF (0.57) MAPK14TEKABL1
SCHEMBL5212408 0.76 MAPK14 (0.45) MAPK14TEK
SCHEMBL5215642 0.73 MAPK14 (0.47) MAPK14

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-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP claimed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 WO claimed