SCHEMBL7215713

SCHEMBL7215713

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCc4ccccc4)n3)[nH]2)OC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.52
MAPK13 O15264 8/20 0.52
MAPK12 P53778 8/20 0.52
MAPK11 Q15759 8/20 0.52
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL5771427 0.92 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770925 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770705 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767983 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767853 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8113218 0.88 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768042 0.87 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770215 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768989 0.86 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8114269 0.86 MAPK14 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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