SCHEMBL7873361

SCHEMBL7873361

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHUK O15111 2/20 0.33
INSR P06213 2/20 0.33
MAPK8 P45983 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
PKM P14618 1/20 0.31
TYK2 P29597 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
SYK P43405 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
SCHEMBL7879890 0.92 CLK1 (0.32) PKMKDM4ESYK
SCHEMBL7884615 0.91 LOXL2 (0.38)
SCHEMBL7873918 0.88 MAPK8 (0.32) SLC6A4CHUKINSRMAPK8CAMKK2
SCHEMBL7881278 0.87 PTPN11 (0.34) PKMKDM4ESYK
SCHEMBL7877758 0.85 CHUK (0.36) CHUKINSRMAPK8CAMKK2SYK
SCHEMBL7880764 0.85 ACHE (0.34) SLC6A4GAA
SCHEMBL7882026 0.85 SLC6A4 (0.43) HTR2ASLC6A4
SCHEMBL7877840 0.85 SLC6A4 (0.36) HTR2ASLC6A4PKM
SCHEMBL7873733 0.84 SLC6A4 (0.39) HTR2ASLC6A4
Hydrochloric Acid SCHEMBL7881837 0.84 SLC6A4 (0.43) HTR2ASLC6A4

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