SCHEMBL5769733

SCHEMBL5769733

CC1(C(=O)N2CCOCC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccc(F)cc4)n3)[nH]2)OC1

nearest known ligand 0.93

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.73
MAPK12 P53778 11/20 0.73
MAPK11 Q15759 11/20 0.73
MAPK14 Q16539 11/20 0.73
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 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
SCHEMBL5768164 0.96 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5138153 0.96 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769316 0.95 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771843 0.93 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772201 0.93 MAPK14 (0.84) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770098 0.93 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5139022 0.92 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772649 0.92 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769206 0.92 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5138576 0.92 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14

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
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