SCHEMBL5764936

SCHEMBL5764936

CC1CC2C=C(c3c[nH]c(-c4cccc(F)c4)c3-c3ccccn3)CCN2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
LRRK2 Q5S007 3/20 0.35
GRM5 P41594 3/20 0.35
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL5764555 0.89 MAPK11 (0.41) MAPK11MAPK14LRRK2GRM5CDC7
SCHEMBL5762860 0.88 MAPK11 (0.56) MAPK11MAPK14LRRK2CDC7ROCK2
SCHEMBL6396970 0.81 MAPK11 (0.39) MAPK11MAPK14LRRK2GRM5DCTPP1
SCHEMBL6391898 0.79 MAPK11 (0.36) MAPK11MAPK14LRRK2GRM5PIM1
SCHEMBL6391525 0.78 MAPK14 (0.49) MAPK11MAPK14GRM5PIM1
SCHEMBL5765383 0.78 MAPK11 (0.57) MAPK11MAPK14LRRK2CDC7ROCK2
SCHEMBL5764807 0.77 MAPK11 (0.56) MAPK11MAPK14LRRK2CDC7ROCK2
SCHEMBL5764488 0.77 MAPK14 (0.49) MAPK11MAPK14NPC1RAB9A
SCHEMBL5763943 0.77 MAPK11 (0.54) MAPK11MAPK14LRRK2CDC7ROCK2
SCHEMBL5762518 0.76 MAPK14 (0.71) MAPK11MAPK14

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-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP claimed