SCHEMBL7879703

SCHEMBL7879703

CNC(N)=NC(=O)c1cc2cccc(Oc3ccnc(CN(C)C)c3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
IDO1 P14902 1/20 0.34
POLB P06746 1/20 0.34
BRAF P15056 2/20 0.34
GCK P35557 3/20 0.33
KDR P35968 4/20 0.32
AURKA O14965 3/20 0.32
MET P08581 3/20 0.32
TEK Q02763 3/20 0.32
AURKB Q96GD4 3/20 0.32
LCK P06239 2/20 0.32
SYK P43405 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
THRB P10828 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CHUK O15111 1/20 0.31
INSR P06213 1/20 0.31

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
SCHEMBL7880172 0.92 TP53 (0.35) TP53MAPTLMNAIDO1POLB
SCHEMBL7879623 0.87 SLC6A4 (0.40) TP53MAPTLMNAIDO1POLB
SCHEMBL7873465 0.86 F2 (0.36) TP53MAPTLMNAIDO1THRB
SCHEMBL7879829 0.86 MET (0.37) TP53MAPTLMNAIDO1POLB
SCHEMBL7877840 0.85 SLC6A4 (0.36) BRAFGCKKDRP2RX3
SCHEMBL7880204 0.85 LSS (0.36) IDO1THRBDRD2DRD3MTNR1A
SCHEMBL7877758 0.84 CHUK (0.36) TP53MAPTLMNAIDO1POLB
SCHEMBL7881806 0.84 BRAF (0.36) BRAFKDR
SCHEMBL7881245 0.83 IDO1 (0.39) TP53MAPTLMNAIDO1POLB
SCHEMBL7884357 0.83 KMT2A (0.37) BRAFKDRSYKLNPEPP2RX3

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