SCHEMBL7873356

SCHEMBL7873356

CN(C)Cc1ccnc(Oc2ccc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c23)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HSP90AA1 P07900 1/20 0.33
SYK P43405 1/20 0.32
CHUK O15111 2/20 0.32
INSR P06213 2/20 0.32
MAPK8 P45983 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
MAP2 P11137 1/20 0.30
NUDT1 P36639 1/20 0.30
LOXL2 Q9Y4K0 2/20 0.30
TNKS O95271 1/20 0.30
LOX P28300 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
SCHEMBL7879882 0.92 SYK (0.33) SYK
SCHEMBL7884606 0.92 LOXL2 (0.39) LOXL2LOX
SCHEMBL7873914 0.89 BRAF (0.32) CHUKINSRMAPK8CAMKK2
SCHEMBL7881272 0.88 NUDT1 (0.32) SYKNUDT1
SCHEMBL7880752 0.87 ACHE (0.33) SYK
SCHEMBL7877745 0.85 IDO1 (0.38) SYKCHUKINSRMAPK8CAMKK2
SCHEMBL7880206 0.84 AURKA (0.39) SYKNUDT1
SCHEMBL7882020 0.84 SLC6A4 (0.45) HTR2ASLC6A4HSP90AA1MAP2TNKS
SCHEMBL7877833 0.84 SLC6A4 (0.38) HTR2ASLC6A4SYKNUDT1
SCHEMBL7873728 0.84 SLC6A4 (0.41) HTR2ASLC6A4TNKS

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