SCHEMBL7877940

SCHEMBL7877940

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccnc(N)c3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
RAF1 P04049 9/20 0.35
BRAF P15056 8/20 0.35
KDR P35968 3/20 0.35
RHEB Q15382 2/20 0.34
RET P07949 3/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
PLK4 O00444 1/20 0.32
CIT O14578 1/20 0.32
AURKA O14965 1/20 0.32
MUSK O15146 1/20 0.32
EPHB6 O15197 1/20 0.32
MAPK13 O15264 1/20 0.32
MLNR O43193 1/20 0.32
MAP3K7 O43318 1/20 0.32
RIPK2 O43353 1/20 0.32
DYRK3 O43781 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
SCHEMBL7873187 0.88 RHEB (0.38) RAF1BRAFKDRRHEBCCNC
SCHEMBL7881139 0.87 RAF1 (0.39) MAPK14RAF1BRAFKDRRHEB
SCHEMBL7877718 0.86 RHEB (0.32) RAF1BRAFKDRRHEBRET
SCHEMBL7878083 0.86 RAF1 (0.34) MAPK14RAF1BRAFKDRRHEB
SCHEMBL7873376 0.86 P2RX3 (0.34) RAF1BRAFKDRRHEBHTR2A
SCHEMBL7879701 0.85 ROCK2 (0.41) MAPK14RAF1BRAFKDRPDGFRB
SCHEMBL7884376 0.85 RHEB (0.39) RAF1BRAFRHEBARAFMAOA
SCHEMBL7882350 0.84 RHEB (0.39) RAF1BRAFRHEBFLT3GRIN1
SCHEMBL7882132 0.84 KDR (0.32) RAF1BRAFKDRRHEB
Hydrochloric Acid SCHEMBL7884305 0.84 RHEB (0.38) RAF1BRAFRHEBARAFFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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