SCHEMBL13076789

SCHEMBL13076789

CCCn1c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 1/20 0.67
▸ KDM4E B2RXH2 9/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ MEN1 O00255 5/20 0.66
▸ TSHR P16473 5/20 0.66
▸ HSD17B10 Q99714 4/20 0.59
▸ HTT P42858 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ IRAK4 Q9NWZ3 6/20 0.59
▸ ALDH1A1 P00352 5/20 0.58
▸ NPSR1 Q6W5P4 5/20 0.58
▸ USP2 O75604 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ PPARG P37231 1/20 0.58
▸ NCOA2 Q15596 1/20 0.58
▸ NCOA1 Q15788 1/20 0.58
▸ NCOA3 Q9Y6Q9 1/20 0.58
▸ LMNA P02545 3/20 0.58
▸ TP53 P04637 1/20 0.58

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
SCHEMBL3812270 0.86 KDM4E (0.77) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL13076216 0.85 ITK (0.51) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL13076210 0.85 KDM4E (0.51) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL20063045 0.83 MAP3K7 (0.83) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL29850001 0.81 MAP3K7 (0.83) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL20063046 0.81 MAP3K7 (1.00) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL29722841 0.81 MAP3K7 (1.00) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL3798611 0.80 MAP3K7 (0.82) MAP3K7KDM4EKMT2AMEN1TSHR
SCHEMBL3801292 0.79 KDM4E (0.69) MAP3K7KDM4EKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL3791352 0.79 MAP3K7 (0.80) MAP3K7KDM4EKMT2AMEN1TSHR

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