SCHEMBL7877449

SCHEMBL7877449

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(Oc3ccc(N)cc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.39
AR P10275 5/20 0.36
BRAF P15056 5/20 0.35
RAF1 P04049 4/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
ARAF P10398 1/20 0.35
CHEK2 O96017 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL7881901 0.91 RHEB (0.41) RHEBBRAFRAF1CHEK2IDO1
SCHEMBL7882100 0.89 RHEB (0.38) RHEBARBRAFRAF1HDAC3
SCHEMBL7873348 0.89 RHEB (0.38) RHEBARBRAFRAF1HDAC3
SCHEMBL7873739 0.89 RHEB (0.37) RHEBARBRAFRAF1ARAF
SCHEMBL7884287 0.88 MEN1 (0.40) RHEBBRAFRAF1HDAC3HDAC4
SCHEMBL7881493 0.87 SLC6A2 (0.36) RHEBBRAFRAF1HDAC3HDAC4
SCHEMBL7877591 0.86 RAF1 (0.33) RHEBARRAF1CHEK2
SCHEMBL7881139 0.85 RAF1 (0.39) RHEBBRAFRAF1ARAFKDR
SCHEMBL7873654 0.85 RHEB (0.35) RHEBARBRAFRAF1MAPT
SCHEMBL7884376 0.85 RHEB (0.39) RHEBBRAFRAF1HDAC3HDAC4

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