SCHEMBL5769933

SCHEMBL5769933

CC1(C(=O)OCC#N)COC(C(N)=O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccncc4)n3)[nH]2)OC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.43
MAPK13 O15264 7/20 0.43
MAPK12 P53778 7/20 0.43
MAPK11 Q15759 7/20 0.43
KCNH2 Q12809 1/20 0.38
BRAF P15056 2/20 0.38

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
SCHEMBL5770863 0.97 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5770321 0.95 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771631 0.93 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5773807 0.93 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5768065 0.92 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772485 0.91 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5769346 0.91 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5769619 0.91 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5769556 0.91 BRAF (0.47) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5771244 0.91 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed