SCHEMBL7877758

SCHEMBL7877758

CNC(N)=NC(=O)c1cc2cccc(Oc3cc(CN(C)C)ccn3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.36
INSR P06213 2/20 0.36
MAPK8 P45983 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
IDO1 P14902 1/20 0.36
SYK P43405 1/20 0.33
TP53 P04637 6/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 4/20 0.33
POLB P06746 2/20 0.33
PARP1 P09874 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
CAMK2D Q13557 1/20 0.32
NOS1 P29475 1/20 0.32
THRB P10828 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
P2RY1 P47900 1/20 0.31
LOX P28300 1/20 0.31
MTNR1A P48039 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
SCHEMBL7881928 0.92 IDO1 (0.35) IDO1SYKTP53MAPTLMNA
SCHEMBL7873321 0.90 LOXL2 (0.41) IDO1LOXL2LOX
SCHEMBL7879954 0.86 SYK (0.36) MAPK8IDO1SYKTP53MAPT
SCHEMBL7873465 0.86 F2 (0.36) CHUKINSRMAPK8CAMKK2IDO1
SCHEMBL7873361 0.85 HTR2A (0.33) CHUKINSRMAPK8CAMKK2SYK
SCHEMBL7877493 0.85 SLC2A1 (0.36) IDO1TP53LMNAPARP1HRH4
SCHEMBL7880204 0.85 LSS (0.36) IDO1PARP1HRH4NOS1THRB
SCHEMBL7879703 0.84 TP53 (0.34) CHUKINSRMAPK8CAMKK2IDO1
SCHEMBL7873918 0.84 MAPK8 (0.32) CHUKINSRMAPK8CAMKK2P2RY1
SCHEMBL7880990 0.84 MGMT (0.38) CHUKINSRMAPK8CAMKK2IDO1

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