SCHEMBL15906458

SCHEMBL15906458

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(=O)[nH]n1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.72
JAK2 O60674 1/20 0.61
INSR P06213 1/20 0.61
IGF1R P08069 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C8 P10632 1/20 0.61
CYP2C9 P11712 1/20 0.61
SRC P12931 1/20 0.61
CYP2C19 P33261 1/20 0.61
FLT3 P36888 1/20 0.61
TEC P42680 1/20 0.61
TXK P42681 1/20 0.61
MAPKAPK2 P49137 1/20 0.61
BMX P51813 1/20 0.61
JAK3 P52333 1/20 0.61
ITK Q08881 1/20 0.61
MAPKAPK3 Q16644 1/20 0.61

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
SCHEMBL13894046 0.93 BTK (0.67) BTK
SCHEMBL105806 0.86 BTK (0.75) BTK
SCHEMBL1069382 0.84 BTK (1.00) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL5242071 0.83 BTK (0.66) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL13893891 0.82 BTK (0.61) BTK
SCHEMBL13893941 0.81 BTK (0.55) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL3999908 0.81 BTK (1.00) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL769731 0.81 BTK (1.00) BTK
SCHEMBL29359902 0.81 BTK (1.00) BTK
SCHEMBL1066164 0.81 BTK (1.00) BTK

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-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed