SCHEMBL7873405

SCHEMBL7873405

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(Oc3ccnc([N+](=O)[O-])c3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.38
BRAF P15056 11/20 0.38
KDR P35968 5/20 0.37
RHEB Q15382 1/20 0.34
RET P07949 2/20 0.33
MEN1 O00255 1/20 0.33
PLK4 O00444 1/20 0.33
CIT O14578 1/20 0.33
AURKA O14965 1/20 0.33
MUSK O15146 1/20 0.33
EPHB6 O15197 1/20 0.33
MAPK13 O15264 1/20 0.33
MLNR O43193 1/20 0.33
MAP3K7 O43318 1/20 0.33
RIPK2 O43353 1/20 0.33
DYRK3 O43781 1/20 0.33
PDE6D O43924 1/20 0.33
NR1I2 O75469 1/20 0.33
STK10 O94804 1/20 0.33
CDK14 O94921 1/20 0.33

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
SCHEMBL7878083 0.88 RAF1 (0.34) RAF1BRAFKDRRHEBRET
SCHEMBL7881139 0.87 RAF1 (0.39) RAF1BRAFKDRRHEBRET
SCHEMBL7879751 0.86 RHEB (0.32) RAF1BRAFKDRRHEBMEN1
SCHEMBL7884287 0.85 MEN1 (0.40) RAF1BRAFRHEBMEN1ARAF
SCHEMBL7873786 0.85 RAF1 (0.37) RAF1BRAFKDRPDGFRBPDGFRA
SCHEMBL7873739 0.85 RHEB (0.37) RAF1BRAFKDRRHEBRET
SCHEMBL7881116 0.84 CYP2C9 (0.39) RHEBMEN1KMT2A
SCHEMBL7882210 0.84 BRAF (0.33) RAF1BRAFKDR
SCHEMBL7873260 0.83 SIRT2 (0.34) RAF1RHEBCA9
SCHEMBL7877803 0.82 KDR (0.38) RAF1BRAFKDRRHEBRET

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