SCHEMBL6769846

SCHEMBL6769846

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.55
ROCK2 O75116 6/20 0.52
ROCK1 Q13464 2/20 0.52
SYK P43405 5/20 0.51
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 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
SCHEMBL6766065 0.92 SYK (0.51) MKNK1ROCK2ROCK1SYKMAPK1
SCHEMBL6639550 0.88 SYK (0.53) MKNK1ROCK2ROCK1SYKMAPK1
SCHEMBL6771473 0.87 SYK (0.66) MKNK1ROCK2ROCK1SYKEGFR
SCHEMBL6769085 0.86 SYK (0.52) MKNK1ROCK2ROCK1SYKMAPK1
SCHEMBL6611762 0.84 SYK (0.49) MKNK1ROCK2ROCK1SYKMAPK1
SCHEMBL6766687 0.84 RPS6KB1 (0.53) MKNK1ROCK2ROCK1SYKMAPK1
SCHEMBL6644053 0.83 SYK (0.67) SYKMAPK1HTTEGFR
SCHEMBL6770452 0.82 RPS6KB1 (0.51) MKNK1ROCK2ROCK1SYKMAPK1
SCHEMBL6771304 0.81 SYK (0.47) MKNK1ROCK2ROCK1SYKMAPK1
SCHEMBL6769928 0.81 RPS6KB1 (0.52) ROCK2ROCK1SYKMAPK1HTT

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