SCHEMBL7873735

SCHEMBL7873735

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3ccncc3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.36
KDR P35968 4/20 0.33
CHEK2 O96017 2/20 0.33
RAF1 P04049 3/20 0.32
KDM4C Q9H3R0 2/20 0.32
BRAF P15056 3/20 0.32
SCN9A Q15858 1/20 0.32
MAPK14 Q16539 1/20 0.32
TNNI3K Q59H18 1/20 0.32
SRC P12931 1/20 0.32
AR P10275 2/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
TEK Q02763 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL7881897 0.90 RHEB (0.40) RHEBSCN9A
SCHEMBL7877441 0.89 RHEB (0.39) RHEBKDRCHEK2BRAFSCN9A
SCHEMBL7881132 0.89 RHEB (0.36) RHEBKDRCHEK2RAF1BRAF
SCHEMBL7880736 0.89 SMN1; SMN2 (0.39) RHEBCHEK2
SCHEMBL7873341 0.87 ST14 (0.39) RHEBCHEK2BRAFSCN9AAR
SCHEMBL7881487 0.86 RHEB (0.36) RHEBCHEK2SCN9A
SCHEMBL7877587 0.86 RHEB (0.33) RHEBAR
SCHEMBL7877800 0.86 KDR (0.35) RHEBKDRRAF1BRAF
SCHEMBL7882153 0.85 DRD1 (0.35) RHEBAR
SCHEMBL7873651 0.85 RHEB (0.34) RHEBKDRAR

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