SCHEMBL6222000

SCHEMBL6222000

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(NC(C)C)n1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.76
RAF1 P04049 1/20 0.54
BRAF P15056 1/20 0.54

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
SCHEMBL6220971 0.86 MAPK14 (1.00) MAPK14RAF1BRAF
SCHEMBL6223233 0.86 MAPK14 (0.81) MAPK14RAF1BRAF
SCHEMBL6221291 0.86 MAPK14 (0.76) MAPK14RAF1BRAF
SCHEMBL6222510 0.85 MAPK14 (0.73) MAPK14RAF1BRAF
SCHEMBL6223542 0.84 MAPK14 (0.71) MAPK14
SCHEMBL6225054 0.84 MAPK14 (1.00) MAPK14RAF1BRAF
SCHEMBL6221216 0.83 MAPK14 (0.76) MAPK14
SCHEMBL6222906 0.81 MAPK14 (1.00) MAPK14RAF1BRAF
SCHEMBL6294526 0.80 MAPK14 (1.00) MAPK14
SCHEMBL6221718 0.80 MAPK14 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415724-C Pyrimidine derivatives ASTRAZENECA AB (SE) 2008-09-03 CN disclosed
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US disclosed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP disclosed
CN-1378537-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2002-11-06 CN disclosed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO disclosed