SCHEMBL4462916

SCHEMBL4462916

COC(=O)Oc1cccc2ncn(CC(=O)Nc3cc(OC)cc(C(F)(F)F)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
BRAF P15056 5/20 0.46
RAF1 P04049 4/20 0.46
POLB P06746 3/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
KDR P35968 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
NTRK1 P04629 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4457005 0.91 POLB (0.48) POLBMAPTKDM4ELMNAKMT2A
SCHEMBL4977861 0.88 RXFP1 (0.47) RXFP1BRAFRAF1POLBMAPT
SCHEMBL4975964 0.87 RXFP1 (0.48) RXFP1BRAFRAF1POLBMAPT
SCHEMBL4974004 0.86 RXFP1 (0.47) RXFP1BRAFRAF1POLBMAPT
SCHEMBL4465214 0.86 RXFP1 (0.47) RXFP1BRAFRAF1POLBMAPT
SCHEMBL3042696 0.86 RXFP1 (0.47) RXFP1BRAFRAF1POLBMAPT
SCHEMBL3034826 0.86 RXFP1 (0.47) RXFP1BRAFRAF1POLBMAPT
SCHEMBL4974192 0.86 RXFP1 (0.47) RXFP1BRAFRAF1POLBMAPT
SCHEMBL4977809 0.85 RXFP1 (0.45) RXFP1BRAFRAF1POLBMAPT
SCHEMBL4975749 0.85 RXFP1 (0.46) RXFP1BRAFRAF1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed