SCHEMBL7879890

SCHEMBL7879890

CCN(CC)Cc1ccnc(Oc2ccc(Cl)c3cc(C(=O)N=C(N)NC)[nH]c23)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SYK P43405 1/20 0.31
PKM P14618 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
SCHEMBL7873361 0.92 HTR2A (0.33) KDM4ESYKPKM
SCHEMBL7884615 0.89 LOXL2 (0.38)
SCHEMBL7881828 0.89 CLK1 (0.31) CLK1CLK2CLK3GSK3BDYRK1A
SCHEMBL7881928 0.86 IDO1 (0.35) CLK1CLK2CLK3GSK3BDYRK1A
SCHEMBL7877759 0.85 SLC6A4 (0.36) PKM
SCHEMBL7873655 0.85 KDR (0.32) KDM4EPKM
SCHEMBL7881278 0.85 PTPN11 (0.34) KDM4ESYKPKM
SCHEMBL7877615 0.85 PPARG (0.34)
SCHEMBL7880764 0.84 ACHE (0.34)
SCHEMBL7880880 0.84 RHEB (0.39) PKM

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