SCHEMBL5547951

SCHEMBL5547951

CC1(C(=O)O)Cc2ccc(-n3nc(C(C)(C)C)cc3NC(=O)Nc3cc(F)c(F)cc3F)cc2CN1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.51
MAPK13 O15264 9/20 0.51
MAPK12 P53778 8/20 0.51
MAPK11 Q15759 8/20 0.51
ABL1 P00519 2/20 0.49
BRAF P15056 2/20 0.46
NTRK1 P04629 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44

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
Hydrochloric Acid SCHEMBL2081549 0.99 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2617025 0.92 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2083343 0.85 ABL1 (0.69) MAPK14MAPK11ABL1BRAF
SCHEMBL2617024 0.85 ABL1 (0.69) MAPK14MAPK11ABL1BRAF
SCHEMBL2083800 0.80 ABL1 (0.67) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2084383 0.80 ABL1 (0.59) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2083056 0.78 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2080268 0.74 ABL1 (0.57) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2083128 0.74 ABL1 (0.69) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2082454 0.74 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ABL1

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
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed