SCHEMBL17020111

SCHEMBL17020111

Cc1ncn(CC2CC2)c1N=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.41
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
GABRG2 P18507 9/20 0.33
GABRB3 P28472 9/20 0.33
GABRA5 P31644 9/20 0.33
GABRA1 P14867 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
YTHDC1 Q96MU7 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31

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
SCHEMBL19301625 0.77 MAPK14 (0.43) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL12677153 0.75 CYP11B2 (0.46) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL17008875 0.74 MAPK14 (0.41) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL3012083 0.74 MAPK13 (0.41) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL17020112 0.72 LMNA (0.36)
SCHEMBL23566135 0.71 MAPK14 (0.40) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL20374809 0.71 MAPK14 (0.43) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL28192126 0.71 MAPK14 (0.40) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL17008899 0.71 CYP11B2 (0.40) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL18256012 0.70 CYP11B2 (0.44) CYP11B2MAPK13MAPK12MAPK11MAPK14

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-2015120768-A1 GPR142 AGONIST COMPOUNDS ELI LILLY AND COMPANY (US) 2015-08-20 WO disclosed