SCHEMBL7873918

SCHEMBL7873918

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.32
CHUK O15111 2/20 0.32
INSR P06213 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
BRAF P15056 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDR P35968 1/20 0.32
MAPK10 P53779 2/20 0.31
P2RY1 P47900 1/20 0.30
ROCK2 O75116 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
SCHEMBL7881828 0.92 CLK1 (0.31) MAPK8MAPK10
SCHEMBL7873361 0.88 HTR2A (0.33) MAPK8CHUKINSRCAMKK2SLC6A4
SCHEMBL7879845 0.87 MAPK8 (0.34) MAPK8BRAFMAPK10
SCHEMBL7881386 0.86 TLR7 (0.36) BRAFKDR
SCHEMBL7878058 0.85 SLC6A4 (0.41) BRAFSLC6A2SLC6A4ROCK2
SCHEMBL7881806 0.85 BRAF (0.36) BRAFSLC6A2SLC6A4KDR
SCHEMBL7873914 0.85 BRAF (0.32) MAPK8CHUKINSRCAMKK2BRAF
SCHEMBL7877633 0.85 SLC6A2 (0.36) BRAFSLC6A2SLC6A4ROCK2
SCHEMBL7877758 0.84 CHUK (0.36) MAPK8CHUKINSRCAMKK2P2RY1
SCHEMBL7877971 0.84 RXRA (0.37) MAPK8CHUKINSRCAMKK2SLC6A2

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