SCHEMBL6769928

SCHEMBL6769928

COCCNC(=O)c1cnc(SC)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.52
ROCK2 O75116 3/20 0.50
SYK P43405 5/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ROCK1 Q13464 2/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
EGFR P00533 2/20 0.44
ERBB2 P04626 1/20 0.44
PIK3CA P42336 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDR P35968 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
SCHEMBL6770161 0.93 SYK (0.47) RPS6KB1ROCK2SYKALDH1A1LMNA
SCHEMBL6770452 0.91 RPS6KB1 (0.51) RPS6KB1ROCK2SYKLMNAMAPT
SCHEMBL6611762 0.89 SYK (0.49) ROCK2SYKLMNAMAPTROCK1
SCHEMBL6766687 0.88 RPS6KB1 (0.53) RPS6KB1ROCK2SYKROCK1MAPK1
SCHEMBL6769085 0.85 SYK (0.52) ROCK2SYKROCK1MAPK1HTT
SCHEMBL6769259 0.84 ROCK1 (0.52) RPS6KB1ROCK2SYKALDH1A1ROCK1
SCHEMBL6639550 0.83 SYK (0.53) RPS6KB1ROCK2SYKROCK1MAPK1
SCHEMBL6608523 0.83 SYK (0.48) RPS6KB1ROCK2SYKLMNAMAPT
SCHEMBL6772093 0.83 PDGFRA (0.57) ROCK2SYKROCK1EGFRKDR
SCHEMBL6769445 0.82 HSD17B10 (0.46) ALDH1A1LMNAHTTEGFRERBB2

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