SCHEMBL9367365

SCHEMBL9367365

NC(=O)c1ncn(Cc2ccccc2)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
EGLN1 Q9GZT9 2/20 0.52
PNP P00491 2/20 0.47
HPGD P15428 1/20 0.47
ADRA1D P25100 2/20 0.46
ADORA2A P29274 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
TNF P01375 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
CCNC P24863 1/20 0.44

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
SCHEMBL5744728 0.85 PKM (0.56) PKMGAATSHREGLN1PNP
SCHEMBL7486955 0.85 PKM (0.56) PKMGAATSHREGLN1PNP
SCHEMBL11551662 0.84 PKM (0.59) PKMGAATSHREGLN1PNP
Hydrochloric Acid SCHEMBL5746470 0.84 PKM (0.55) PKMGAATSHREGLN1PNP
SCHEMBL14149475 0.81 PKM (0.56) PKMGAATSHREGLN1PNP
SCHEMBL10744492 0.81 GALR3 (0.42) PKMGAATSHREGLN1ADRA1D
SCHEMBL1753177 0.80 MAPK1 (0.55) PKMGAATSHRHPGDALDH1A1
SCHEMBL10747661 0.80 ADRA1D (0.52) ADRA1DADORA2ACYP11B1CYP11B2ALDH1A1
SCHEMBL11549186 0.80 PKM (0.54) PKMGAATSHREGLN1PNP
SCHEMBL14105392 0.79 PKM (0.50) PKMGAATSHREGLN1PNP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7255835-B2 Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-14 US disclosed
US-7255835-B2 Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-14 US disclosed
EP-0464112-B1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS GEA FARMACEUTISK FABRIK AS (DK) 1994-10-05 EP disclosed
US-5223619-A Catalytic cyclization A/S GEA FARMACEUTISK FABRIK (DK) 1993-06-29 US disclosed
EP-0464112-A1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS. GEA FARMACEUTISK FABRIK AS (DK) 1992-01-08 EP disclosed
WO-1990011283-A1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS A/S GEA FARMACEUTISK FABRIK (DK) 1990-10-04 WO disclosed