SCHEMBL5780970

SCHEMBL5780970

COc1ccccc1Nc1ncc(C(=O)N(C)Cc2ccccc2)c(C(F)(F)F)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.70
RAB9A P51151 1/20 0.51
LIMK2 P53671 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
TYK2 P29597 1/20 0.44
KDR P35968 1/20 0.44
JAK3 P52333 1/20 0.44
PTK2 Q05397 1/20 0.44
PTK2B Q14289 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
ATF1 P18846 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL5778821 0.87 CNR2 (0.68) CNR2ATF1NFKB1MAPT
SCHEMBL5781324 0.85 CNR2 (0.70) CNR2LIMK2ALDH1A1KDM4EHTT
SCHEMBL5079708 0.84 CNR2 (0.59) CNR2ATF1NFKB1
SCHEMBL5083042 0.84 CNR2 (0.74) CNR2RAB9AALDH1A1JAK2NTRK1
SCHEMBL5077116 0.83 CNR2 (0.73) CNR2RAB9AALDH1A1NPSR1JAK2
SCHEMBL5083133 0.83 CNR2 (1.00) CNR2RAB9AKDM4ENPSR1MAPT
SCHEMBL5780552 0.81 CNR2 (0.56) CNR2ATF1NFKB1
SCHEMBL5782167 0.81 CNR2 (0.56) CNR2ATF1NFKB1
SCHEMBL5780255 0.81 CNR2 (0.68) CNR2ATF1NFKB1
SCHEMBL5077147 0.81 CNR2 (0.55) CNR2ATF1NFKB1

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-1736470-A2 Pyrimidine derivatives as CB2 cannabinoid receptor modulators GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed