SCHEMBL6572608

SCHEMBL6572608

Cc1ccc(C(C)(C)C)cc1-n1nccc1NC(=O)Nc1ccc(NC(=O)c2ccncc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPK14 Q16539 8/20 0.42
MAPK12 P53778 5/20 0.41
HCK P08631 2/20 0.41
TNF P01375 1/20 0.41
CCR8 P51685 2/20 0.41
BRAF P15056 1/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
EIF4H Q15056 1/20 0.39
LMNA P02545 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPK13 O15264 2/20 0.38
MAPK11 Q15759 2/20 0.38
DDR2 Q16832 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL7854388 0.91 CSF1R (0.42) MAPK14MAPK12BRAFMEN1KMT2A
SCHEMBL7854965 0.88 MAPK14 (0.47) MAPK14MAPK12HCKTNFCCR8
SCHEMBL7844842 0.83 MAPK14 (0.64) MAPK14MAPK12HCKTNFBRAF
SCHEMBL6152746 0.83 MAPK14 (0.59) MAPK14MAPK12HCKTNFBRAF
SCHEMBL6573925 0.80 MAPK14 (0.51) GAAMAPK14MAPK12HCKTNF
SCHEMBL6263852 0.79 ABL1 (0.51) MAPK14MAPK12HCKTNFBRAF
SCHEMBL7859356 0.77 MAPK14 (0.39) MAPK14MAPK12HCKTNFBRAF
SCHEMBL7855117 0.77 MAPK14 (0.38) MAPK14MAPK12HCKTNF
SCHEMBL7855430 0.77 MAPK14 (0.54) MAPK14MAPK12HCKTNFBRAF
SCHEMBL6575226 0.77 MAPK14 (0.54) MAPK14MAPK12HCKTNFBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408950-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-21 EP disclosed
WO-2003005999-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed
EP-1147104-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-10-24 EP disclosed
WO-2000043384-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed