SCHEMBL6772093

SCHEMBL6772093

CSc1ncc(C(=O)NCCN2CCOCC2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 2/20 0.57
PDGFRB P09619 1/20 0.57
KDM5B Q9UGL1 1/20 0.47
LRRK2 Q5S007 2/20 0.46
EGFR P00533 3/20 0.46
SYK P43405 2/20 0.46
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 3/20 0.44
PDE4B Q07343 2/20 0.43
SMYD2 Q9NRG4 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE11A Q9HCR9 1/20 0.43
WEE1 P30291 2/20 0.42
ALK Q9UM73 2/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL6769391 0.94 PDGFRB (0.66) PDGFRAPDGFRBKDM5BEGFRSYK
SCHEMBL6769054 0.86 ROCK1 (0.54) PDGFRAPDGFRBLRRK2EGFRSYK
SCHEMBL6770452 0.84 RPS6KB1 (0.51) EGFRSYKROCK2ROCK1IRAK4
SCHEMBL6769928 0.83 RPS6KB1 (0.52) EGFRSYKROCK2ROCK1KDR
SCHEMBL6611762 0.83 SYK (0.49) EGFRSYKROCK2ROCK1WEE1
SCHEMBL6766687 0.82 RPS6KB1 (0.53) EGFRSYKROCK2ROCK1CDK9
SCHEMBL7077905 0.80 PDGFRB (0.67) PDGFRAPDGFRBKDM5BLRRK2SMYD2
SCHEMBL6770704 0.80 LCK (0.46) PDGFRAPDGFRBLRRK2EGFRSYK
SCHEMBL6769445 0.80 HSD17B10 (0.46) EGFR
SCHEMBL6769723 0.80 EGFR (0.50) PDGFRAPDGFRBLRRK2EGFRSYK

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
US-6762189-B1 HEPATITIS B VIRUS AND HUMAN IMMUNODEFICIENCY VIRUS ANTIPROLIFERATION AGENTS; REDUCED CHANCE OF TOXICITY, SIDE EFFECTS, AND DEVELOPMENT OF RESISTANT VIRAL STRAINS DONG WHA PHARM. IND. CO., LTD. (KR) 2004-07-13 US disclosed