SCHEMBL3799723

SCHEMBL3799723

CC(=O)N(C)c1ccc2c(c1)nc(NC(=O)c1cccc(NS(=O)(=O)c3ccccc3)c1)n2C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ EGFR P00533 5/20 0.49
▸ FGFR1 P11362 5/20 0.49
▸ KDR P35968 5/20 0.49
▸ ITK Q08881 6/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ PHGDH O43175 2/20 0.42

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
SCHEMBL3791183 0.89 MEN1 (0.50) MEN1KMT2AEGFRFGFR1KDR
SCHEMBL19236089 0.87 ITK (0.53) MEN1KMT2AEGFRFGFR1KDR
SCHEMBL13077039 0.86 ITK (0.57) ITKINSR
SCHEMBL3796215 0.86 ITK (0.54) MEN1KMT2AEGFRFGFR1KDR
SCHEMBL3800898 0.85 ITK (0.66) ITKINSR
SCHEMBL3812178 0.82 ITK (0.53) ITKIRAK4INSR
SCHEMBL3798557 0.82 KDM4E (0.52) MEN1KMT2AEGFRFGFR1KDR
SCHEMBL13076398 0.80 ITK (0.53) MEN1KMT2AEGFRFGFR1KDR
SCHEMBL3800341 0.80 ITK (0.48) MEN1KMT2AITKIRAK4INSR
SCHEMBL13076790 0.78 ITK (0.49) MEN1KMT2AEGFRFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
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