SCHEMBL7879475

SCHEMBL7879475

CN(C)CCOc1cc(C(F)(F)F)c2cc(C(=O)N(C)C(=N)N)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
MAOA P21397 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
RPS6KB1 P23443 2/20 0.35
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.34
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PKN2 Q16513 1/20 0.34
PIM3 Q86V86 1/20 0.34
BRSK1 Q8TDC3 1/20 0.34
AURKB Q96GD4 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
Hydrochloric Acid SCHEMBL7878224 0.99 FLT3 (0.37) FLT3PDGFRBPDGFRAMAOATHRA
SCHEMBL7880740 0.95 PDGFRB (0.38) FLT3PDGFRBPDGFRAMAOATHRA
Hydrochloric Acid SCHEMBL7881916 0.94 PDGFRB (0.38) FLT3PDGFRBPDGFRAMAOATHRA
Hydrochloric Acid SCHEMBL8629165 0.94 PDGFRB (0.38) FLT3PDGFRBPDGFRAMAOATHRA
SCHEMBL7881345 0.91 ALK (0.36) FLT3THRATHRBKDRMAP4K4
SCHEMBL7884785 0.91 RHEB (0.33) THRATHRBRHEBAR
Hydrochloric Acid SCHEMBL7877582 0.91 ALK (0.36) FLT3THRATHRBKDRMAP4K4
SCHEMBL7884534 0.90 RHEB (0.33) THRATHRBRPS6KB1AURKARHEB
Hydrochloric Acid SCHEMBL7873418 0.90 RHEB (0.33) THRATHRBRHEBAR
Hydrochloric Acid SCHEMBL8631563 0.89 RHEB (0.32) THRATHRBRPS6KB1AURKARHEB

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 5 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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed