SCHEMBL3389956

SCHEMBL3389956

CCCC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)N(OS(C)(=O)=O)c3cc(C(C)(C)C)nn3-c3ccc(C)cc3)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK9 P45984 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
WNT3A P56704 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CDK8 P49336 1/20 0.34
BRAF P15056 1/20 0.34
PTK2 Q05397 3/20 0.33
PANK3 Q9H999 1/20 0.33
P2RY12 Q9H244 1/20 0.33
DGAT1 O75907 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3390558 0.87 MAPK13 (0.40) RAB9AL3MBTL1MAPK14MAPK13KDM4E
SCHEMBL3390571 0.86 PANK3 (0.36) RAB9AL3MBTL1MAPK14MAPK13KDM4E
SCHEMBL3175386 0.86 KDM4E (0.38) RAB9AL3MBTL1MAPK14MAPK13KDM4E
SCHEMBL3390498 0.84 RAB9A (0.36) RAB9AL3MBTL1MAPK14MAPK13MAPK9
SCHEMBL3389953 0.83 MAPK14 (0.54) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4602880 0.82 MAPK14 (0.43) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL3390651 0.81 SMO (0.37) MAPK14MAPK13KDM4EMAPK9MAPK12
SCHEMBL3388935 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL3392905 0.80 SMO (0.39) MAPK14MAPK13KDM4EMAPK12MAPK11
SCHEMBL4602779 0.80 MAPK13 (0.45) MAPK14MAPK13MAPK9MAPK12MAPK11

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed