SCHEMBL7873376

SCHEMBL7873376

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccnc(CN(C)C)c3)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
RHEB Q15382 1/20 0.33
RAF1 P04049 5/20 0.33
BRAF P15056 4/20 0.33
KDR P35968 2/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
LNPEP Q9UIQ6 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
SCHEMBL7882132 0.92 KDR (0.32) RHEBRAF1BRAFKDR
SCHEMBL7877803 0.88 KDR (0.38) RHEBRAF1BRAFKDRHTR2A
SCHEMBL7884357 0.87 KMT2A (0.37) P2RX3RAF1BRAFKDRLNPEP
SCHEMBL7881922 0.87 KDR (0.38) RAF1BRAFKDRSLC6A4LNPEP
SCHEMBL7877940 0.86 MAPK14 (0.39) RHEBRAF1BRAFKDRHTR2A
SCHEMBL7877855 0.85 LOXL2 (0.33) RHEBHTR2ASLC6A4
SCHEMBL7877544 0.85 SLC6A4 (0.38) RHEBHTR2ASLC6A4
SCHEMBL7881485 0.84 PPARG (0.39) RHEBHTR2ASLC6A4
Hydrochloric Acid SCHEMBL7881328 0.84 SLC6A4 (0.37) RHEBHTR2ASLC6A4
SCHEMBL7877840 0.84 SLC6A4 (0.36) P2RX3BRAFKDRHTR2ASLC6A4

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