SCHEMBL7362641

SCHEMBL7362641

Cc1cncc(C(=O)c2cnn3c(-c4ccncc4)ccnc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.52
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAP2K1 Q02750 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
GSK3A P49840 4/20 0.47
EPHA2 P29317 1/20 0.47
PIM1 P11309 5/20 0.44
AKT1 P31749 2/20 0.44
PIM3 Q86V86 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LIMK1 P53667 2/20 0.43
MAPK9 P45984 2/20 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
SCHEMBL7365603 0.88 TLR8 (0.54) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL7370603 0.83 KDM4E (0.67) TLR8KDM4E
SCHEMBL7367609 0.82 MAP2K1 (0.55) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL5790981 0.82 CLK4 (0.64) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL7361917 0.80 KDM4E (0.69) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL7362685 0.80 ALDH1A1 (0.49) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL7362622 0.79 KDM4E (0.57) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL7400411 0.77 KDM4E (0.49) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL7398476 0.77 MAP2K1 (0.52) TLR8KDM4EALDH1A1MAP2K1CLK4
SCHEMBL9868803 0.76 MAP2K1 (0.80) TLR8KDM4EALDH1A1MAP2K1CLK4

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-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed