SCHEMBL6769259

SCHEMBL6769259

CSc1ncc(C(=O)NCCc2ccccn2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.52
GRK2 P25098 2/20 0.52
GRK5 P34947 2/20 0.52
PTK2 Q05397 1/20 0.45
PTK2B Q14289 1/20 0.45
GRK1 Q15835 1/20 0.44
ROCK2 O75116 4/20 0.44
SYK P43405 4/20 0.43
JAK2 O60674 3/20 0.42
IRAK4 Q9NWZ3 3/20 0.42
JAK3 P52333 2/20 0.42
MAPK1 P28482 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 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
SCHEMBL6766170 0.93 KDR (0.46) ROCK1GRK2GRK5ROCK2SYK
SCHEMBL7077576 0.87 ROCK1 (0.55) ROCK1GRK2GRK5PTK2PTK2B
SCHEMBL6770452 0.86 RPS6KB1 (0.51) ROCK1ROCK2SYKJAK2IRAK4
SCHEMBL6769928 0.84 RPS6KB1 (0.52) ROCK1ROCK2SYKMAPK1EGFR
SCHEMBL6611762 0.84 SYK (0.49) ROCK1ROCK2SYKJAK2MAPK1
SCHEMBL6766687 0.84 RPS6KB1 (0.53) ROCK1ROCK2SYKMAPK1EGFR
SCHEMBL6769085 0.81 SYK (0.52) ROCK1ROCK2SYKJAK2IRAK4
SCHEMBL6769930 0.81 LMNA (0.47) ROCK1ROCK2SYKJAK2IRAK4
SCHEMBL6769445 0.80 HSD17B10 (0.46) EGFRERBB2NPC1SMN1; SMN2HTT
SCHEMBL6639550 0.79 SYK (0.53) ROCK1ROCK2SYKJAK2IRAK4

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