SCHEMBL5770119

SCHEMBL5770119

CC1(C(=O)OCC2CC2)COC(C(N)=O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccncc4)n3)[nH]2)OC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.45
MAPK13 O15264 7/20 0.45
MAPK12 P53778 7/20 0.45
MAPK11 Q15759 7/20 0.45
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5768037 0.97 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11CDK4
SCHEMBL5770659 0.95 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767728 0.93 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770296 0.92 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771511 0.91 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5769282 0.91 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769586 0.90 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CDK2
SCHEMBL5795972 0.90 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770328 0.90 PIK3CG (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772485 0.89 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11CDK4

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