SCHEMBL6224722

SCHEMBL6224722

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OC2CCNCC2)n1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.85
RAF1 P04049 3/20 0.55
BRAF P15056 3/20 0.55

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
SCHEMBL6221504 0.92 MAPK14 (1.00) MAPK14
Hydrochloric Acid SCHEMBL6221481 0.87 MAPK14 (0.70) MAPK14RAF1BRAF
SCHEMBL6224025 0.87 MAPK14 (0.81) MAPK14RAF1BRAF
SCHEMBL6970752 0.85 MAPK14 (0.66) MAPK14RAF1BRAF
SCHEMBL6976106 0.84 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL6980605 0.82 MAPK14 (0.59) MAPK14RAF1BRAF
SCHEMBL6220971 0.82 MAPK14 (1.00) MAPK14RAF1BRAF
SCHEMBL6223233 0.82 MAPK14 (0.81) MAPK14RAF1BRAF
SCHEMBL6221718 0.81 MAPK14 (1.00) MAPK14
SCHEMBL6221940 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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