SCHEMBL8663522

SCHEMBL8663522

Nc1ncnc2[nH]c(=S)sc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.47
LIMK1 P53667 9/20 0.39
CDC7 O00311 4/20 0.39
CDK5 Q00535 2/20 0.39
RET P07949 2/20 0.39
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
ROCK2 O75116 2/20 0.39
PIM1 P11309 2/20 0.39
PRKACA P17612 2/20 0.39
RPS6KB1 P23443 2/20 0.39
CDK2 P24941 2/20 0.39
MARK3 P27448 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
CSNK1D P48730 2/20 0.39
GSK3A P49840 2/20 0.39
STK3 Q13188 2/20 0.39
ROCK1 Q13464 2/20 0.39
DYRK1A Q13627 2/20 0.39

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
SCHEMBL8664696 0.76 LIMK1 (0.39) ERAP1LIMK1CDC7CDK5RET
SCHEMBL31167649 0.65 PSMB8 (0.36) ERAP1KDM4EALDH1A1MAPTHPGD
SCHEMBL4745018 0.64 ERAP1 (1.00) ERAP1LIMK1RETPI4KAPI4K2B
SCHEMBL23001542 0.62 MAPK1 (0.34) LIMK1CDK5RETAURKAKDR
SCHEMBL6993509 0.60 LIMK1 (0.42) LIMK1CDC7CDK5RETPLK4
SCHEMBL8662852 0.57 LIMK1 (0.46) LIMK1CDC7CDK5RETPLK4
SCHEMBL18312205 0.56 IKBKB (0.53) LIMK1CDC7CDK5RETPLK4
SCHEMBL1718947 0.56
SCHEMBL42313 0.55 ADORA2A (0.42) ERAP1RETMAP4K4PI4KAPI4K2B
SCHEMBL24500015 0.55 LIMK1 (0.47) LIMK1CDC7CDK5RETPLK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636372-B1 Antiviral, antitumor, antimetastatic, immune system enhancing 7-thia-guanosine derivatives ICN PHARMACEUTICALS (US) 1998-12-02 EP disclosed
EP-0348446-B1 ANTIVIRAL ANTITUMOR ANTIMETASTATIC IMMUNE SYSTEM ENHANCING NUCLEOSIDES AND NUCLEOTIDES UNIV BRIGHAM YOUNG (US) 1995-08-09 EP disclosed
EP-0636372-A1 Antiviral, antitumor, antimetastatic, immune system enhancing 7-thia-guanosine derivatives BRIGHAM YOUNG UNIVERSITY (US) 1995-02-01 EP disclosed
EP-0348446-A4 ANTIVIRAL ANTITUMOR ANTIMETASTATIC IMMUNE SYSTEM ENHANCING NUCLEOSIDES AND NUCLEOTIDES 1991-09-25 EP disclosed
US-5041426-A Viricides, antitumor agents BRIGHAM YOUNG UNIVERSITY (US) 1991-08-20 US disclosed
EP-0348446-A1 ANTIVIRAL ANTITUMOR ANTIMETASTATIC IMMUNE SYSTEM ENHANCING NUCLEOSIDES AND NUCLEOTIDES. UNIV BRIGHAM YOUNG (US) 1990-01-03 EP disclosed
US-4880784-A ANTITUMOR AGENTS BRIGHAM YOUNG UNIVERSITY (US) 1989-11-14 US disclosed
WO-1989005649-A1 ANTIVIRAL ANTITUMOR ANTIMETASTATIC IMMUNE SYSTEM ENHANCING NUCLEOSIDES AND NUCLEOTIDES BRIGHAM YOUNG UNIVERSITY (US) 1989-06-29 WO disclosed