SCHEMBL3390571

SCHEMBL3390571

CCC(C)CC(=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
PANK3 Q9H999 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
MAPK14 Q16539 3/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPK13 O15264 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
WNT3A P56704 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRAF P15056 1/20 0.33
CDK8 P49336 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DGAT1 O75907 1/20 0.33
PDE7A Q13946 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
SCHEMBL3175386 0.87 KDM4E (0.38) L3MBTL1RAB9AMAPK14KDM4EMAPK13
SCHEMBL3389956 0.86 RAB9A (0.36) PANK3L3MBTL1RAB9AMAPK14KDM4E
SCHEMBL3390558 0.86 MAPK13 (0.40) L3MBTL1RAB9AMAPK14KDM4EMAPK13
SCHEMBL3390567 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL3390498 0.83 RAB9A (0.36) PANK3L3MBTL1RAB9AMAPK14MAPK13
SCHEMBL3180045 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4602876 0.80 MAPK14 (0.42) MAPK14KDM4EMAPK13SMN1; SMN2MAPK9
SCHEMBL4602779 0.79 MAPK13 (0.45) MAPK14MAPK13SMN1; SMN2MAPK9MAPK12
SCHEMBL4602880 0.78 MAPK14 (0.43) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL3390651 0.78 SMO (0.37) MAPK14KDM4EMAPK13SMN1; SMN2MAPK9

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