SCHEMBL7879701

SCHEMBL7879701

CNC(N)=NC(=O)c1cc2ccc(Oc3ccnc(N)c3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
RAF1 P04049 11/20 0.38
BRAF P15056 10/20 0.38
FLT3 P36888 2/20 0.36
MAPK14 Q16539 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ALOX15 P16050 1/20 0.36
CA2 P00918 1/20 0.35
XDH P47989 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL7885071 0.89 XDH (0.39) ROCK2ROCK1RAF1BRAFFLT3
SCHEMBL7884822 0.87 FLT3 (0.35) ROCK2ROCK1RAF1BRAFFLT3
SCHEMBL7873594 0.86 XDH (0.40) BRAFFLT3PDGFRBPDGFRAALOX15
SCHEMBL7873786 0.85 RAF1 (0.37) RAF1BRAFFLT3PDGFRBPDGFRA
SCHEMBL7877940 0.85 MAPK14 (0.39) RAF1BRAFFLT3MAPK14PDGFRB
SCHEMBL7884357 0.85 KMT2A (0.37) RAF1BRAFFLT3PDGFRBPDGFRA
SCHEMBL7882069 0.84 XDH (0.51) FLT3PDGFRBPDGFRAALOX15XDH
SCHEMBL7881139 0.84 RAF1 (0.39) RAF1BRAFFLT3MAPK14PDGFRB
SCHEMBL7877886 0.83 XDH (0.41) BRAFFLT3PDGFRBPDGFRAALOX15
SCHEMBL7881783 0.83 KMT2A (0.34) ROCK2ROCK1RAF1BRAFFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed