SCHEMBL6769723

SCHEMBL6769723

CSc1ncc(C(=O)NN2CCN(C)CC2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
ROCK1 Q13464 6/20 0.49
PDGFRA P16234 3/20 0.49
FGFR1 P11362 3/20 0.49
KDR P35968 3/20 0.49
WEE1 P30291 3/20 0.49
ALK Q9UM73 3/20 0.49
PDGFRB P09619 2/20 0.49
AURKA O14965 2/20 0.49
DAPK3 O43293 2/20 0.49
JAK2 O60674 2/20 0.49
PRKD3 O94806 2/20 0.49
MAP4K4 O95819 2/20 0.49
PAK4 O96013 2/20 0.49
NTRK1 P04629 2/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49
CSF1R P07333 2/20 0.49
RET P07949 2/20 0.49
IGF1R P08069 2/20 0.49

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
SCHEMBL6777904 0.93 PDGFRB (0.51) EGFRROCK1PDGFRAFGFR1KDR
SCHEMBL6769054 0.90 ROCK1 (0.54) EGFRROCK1PDGFRAFGFR1KDR
SCHEMBL6770721 0.87 PDGFRB (0.53) EGFRROCK1PDGFRAFGFR1KDR
SCHEMBL6769085 0.84 SYK (0.52) EGFRROCK1KDRJAK2SYK
SCHEMBL6639550 0.82 SYK (0.53) EGFRROCK1FGFR1KDRDAPK3
SCHEMBL6611762 0.81 SYK (0.49) EGFRROCK1WEE1ALKJAK2
SCHEMBL6771473 0.81 SYK (0.66) EGFRROCK1JAK3SYKROCK2
SCHEMBL6765966 0.80 PDGFRB (0.62) EGFRROCK1PDGFRAFGFR1KDR
SCHEMBL6772093 0.80 PDGFRA (0.57) EGFRROCK1PDGFRAFGFR1KDR
SCHEMBL6770452 0.80 RPS6KB1 (0.51) EGFRROCK1JAK2JAK3SYK

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