SCHEMBL9935615

SCHEMBL9935615

Cc1ccc(N)c2c(C)c(C(N)=O)[nH]c12.Nc1ccc(C(=O)O)c2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.39
PIM3 Q86V86 1/20 0.35
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
ADRA2A P08913 1/20 0.33
CLCN2 P51788 1/20 0.33
JAK2 O60674 1/20 0.32
KEAP1 Q14145 1/20 0.32

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
SCHEMBL9936909 0.82 CYP1A2 (0.37) BTKJAK2
SCHEMBL9936563 0.78 BTK (0.49) BTKAURKATPX2KEAP1
SCHEMBL9965010 0.72 BTK (0.65) BTK
SCHEMBL2768819 0.72 KEAP1 (0.49) BTKAURKATPX2ADRA2ACLCN2
SCHEMBL2595142 0.69 AURKA (0.46) AURKATPX2ADRA2ACLCN2KEAP1
SCHEMBL6192602 0.68 TDP1 (0.38) BTK
SCHEMBL9939129 0.68 ADRA2A (0.40) BTKADRA2ACLCN2
SCHEMBL16382696 0.68 BTK (0.55) BTK
SCHEMBL9942462 0.67 BTK (0.44) BTK
SCHEMBL2424952 0.66 BTK (0.56) BTKKEAP1

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-2651516-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'Oréal (FR) 2013-10-23 EP claimed
WO-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
EP-2651386-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'Oréal (FR) 2013-10-23 EP disclosed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed