SCHEMBL5769740

SCHEMBL5769740

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccncc4)n3)[nH]2)OC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
MAPK13 O15264 9/20 0.52
MAPK12 P53778 9/20 0.52
MAPK11 Q15759 9/20 0.52
KCNH2 Q12809 1/20 0.49
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MKNK1 Q9BUB5 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
SCHEMBL5767853 0.95 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5771427 0.93 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771052 0.90 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770534 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5773358 0.89 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5768257 0.88 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771390 0.87 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5768989 0.87 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6075073 0.87 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5770705 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11

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 5 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-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US 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