SCHEMBL7880744

SCHEMBL7880744

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(OCCCN(C)C)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
MAOA P21397 2/20 0.37
CHEK2 O96017 2/20 0.35
PARP1 P09874 1/20 0.34
KDR P35968 1/20 0.33
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
FLT3 P36888 1/20 0.33
PDK2 Q15119 1/20 0.33
CHEK1 O14757 1/20 0.32
RHEB Q15382 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NEK2 P51955 1/20 0.32
PLK1 P53350 1/20 0.32

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
Hydrochloric Acid SCHEMBL7882179 0.99 PDGFRB (0.37) PDGFRBPDGFRATHRATHRBMAOA
Hydrochloric Acid SCHEMBL27322403 0.99 PDGFRB (0.37) PDGFRBPDGFRATHRATHRBMAOA
SCHEMBL7879479 0.95 FLT3 (0.37) PDGFRBPDGFRATHRATHRBMAOA
Hydrochloric Acid SCHEMBL7878231 0.94 FLT3 (0.37) PDGFRBPDGFRATHRATHRBMAOA
SCHEMBL7879905 0.91 MAOB (0.36) THRATHRBKDRRHEBKDM4E
SCHEMBL7884539 0.89 AURKA (0.34) MAOAAURKARPS6KB1RHEB
Hydrochloric Acid SCHEMBL7873350 0.88 AURKA (0.33) AURKARPS6KB1RHEB
SCHEMBL7884792 0.88 RHEB (0.34) RHEB
SCHEMBL7881348 0.88 ALK (0.36) KDRFLT3CHEK1RHEBSMN1; SMN2
SCHEMBL7881142 0.87 PDGFRB (0.39) PDGFRBPDGFRATHRATHRBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP claimed
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed