SCHEMBL7879845

SCHEMBL7879845

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3cc(N)ccn3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.34
MAPK10 P53779 4/20 0.34
PTPN11 Q06124 1/20 0.33
BRAF P15056 12/20 0.33
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
RAF1 P04049 1/20 0.30
MAPK3 P27361 1/20 0.30

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
SCHEMBL7885028 0.89 MAPK8 (0.36) MAPK8MAPK10BRAF
SCHEMBL7873261 0.88 MAPK8 (0.32) MAPK8MAPK10BRAF
SCHEMBL7873918 0.87 MAPK8 (0.32) MAPK8MAPK10BRAF
SCHEMBL7881278 0.87 PTPN11 (0.34) PTPN11BRAFCYP3A4
SCHEMBL7877775 0.86 MET (0.37) PTPN11BRAFRAF1
SCHEMBL7881828 0.86 CLK1 (0.31) MAPK8MAPK10
SCHEMBL7880924 0.85 FFAR1 (0.36) BRAFMAPTRAF1
SCHEMBL7881386 0.84 TLR7 (0.36) BRAF
SCHEMBL7882116 0.84 BRAF (0.35) BRAFCYP3A4RAF1
SCHEMBL7882129 0.84 ICAM1 (0.37) BRAFMAPT

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