SCHEMBL5774851

SCHEMBL5774851

Cc1nc(C2CCNCC2)c2nc(-c3ccc(F)cc3)c(C)c-2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.48
MAPK11 Q15759 4/20 0.48
MAPK13 O15264 3/20 0.48
RAF1 P04049 3/20 0.48
MAPK9 P45984 3/20 0.48
MAPK12 P53778 3/20 0.48
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
PLAT P00750 2/20 0.38
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
RPS6KA3 P51812 1/20 0.37
GSK3B P49841 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KCNH2 Q12809 3/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL5774467 0.88 TLR9 (0.37) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL5775115 0.88 USP7 (0.41) MAPK14MAPK11MAPK13RAF1MAPK9
Hydrochloric Acid SCHEMBL5773943 0.86 MAPK14 (0.42) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL8125046 0.86 MEN1 (0.44) HTR2AHTR2CHTR2BPLATGABRA1
Hydrochloric Acid SCHEMBL5775248 0.85 KDM4E (0.44) HTR2AHTR2CPLATGABRA1GABRB2
SCHEMBL5776541 0.84 MAPK14 (0.45) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL7960972 0.82 SLC6A2 (0.37) MAPK14MAPK13MAPK9MAPK12CSNK1D
Hydrochloric Acid SCHEMBL5807137 0.80 KDM4E (0.43) MAPK14MAPK11MAPK13RAF1MAPK9
SCHEMBL5774480 0.76 KDM4E (0.44) MAPK14MAPK11MAPK13RAF1MAPK9
Hydrochloric Acid SCHEMBL5773701 0.75 KDM4E (0.47) HTR2AHTR2CPLATGABRA1GABRB2

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-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed