SCHEMBL7877840

SCHEMBL7877840

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3ccnc(CN(C)C)c3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.36
HTR2A P28223 4/20 0.36
BRAF P15056 9/20 0.34
SLC6A2 P23975 1/20 0.33
P2RX3 P56373 1/20 0.32
GCK P35557 1/20 0.32
KCNH2 Q12809 2/20 0.32
PKM P14618 1/20 0.31
KDR P35968 1/20 0.30
DDR2 Q16832 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
SCHEMBL7873655 0.92 KDR (0.32) SLC6A4HTR2ABRAFGCKKCNH2
SCHEMBL7881806 0.88 BRAF (0.36) SLC6A4BRAFSLC6A2KDR
SCHEMBL7884720 0.87 KDR (0.35) SLC6A4KDR
SCHEMBL7881176 0.86 MAPK14 (0.38) SLC6A4HTR2ABRAFGCKKCNH2
SCHEMBL7879703 0.85 TP53 (0.34) BRAFP2RX3GCKKDR
SCHEMBL7882026 0.85 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2KCNH2
SCHEMBL7873361 0.85 HTR2A (0.33) SLC6A4HTR2APKM
SCHEMBL7873733 0.84 SLC6A4 (0.39) SLC6A4HTR2ABRAFSLC6A2KCNH2
Hydrochloric Acid SCHEMBL7881837 0.84 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2KCNH2
SCHEMBL7873376 0.84 P2RX3 (0.34) SLC6A4HTR2ABRAFP2RX3KDR

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