SCHEMBL9795647

SCHEMBL9795647

Nc1ccc(NCc2ccccc2)nc1N

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
APP P05067 2/20 0.50
FABP1 P07148 1/20 0.49
FABP6 P51161 1/20 0.49
BACE1 P56817 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLAU P00749 1/20 0.46
POLB P06746 1/20 0.45
GPR68 Q15743 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL317275 0.83 KCNQ3 (0.55) MAP4K4SMN1; SMN2APPL3MBTL1MEN1
SCHEMBL29972915 0.81 MAP4K4 (0.54) MAP4K4SMN1; SMN2APPFABP1FABP6
SCHEMBL15347854 0.78 HSD17B10 (0.57) MAP4K4SMN1; SMN2APPBACE1L3MBTL1
SCHEMBL5759562 0.77 POLB (0.55) MAP4K4SMN1; SMN2LMNAPOLBMEN1
SCHEMBL12820608 0.76 FABP1 (0.55) MAP4K4SMN1; SMN2APPFABP1FABP6
SCHEMBL10787515 0.75 MAPK1 (0.49) MAP4K4SMN1; SMN2BACE1LMNAL3MBTL1
SCHEMBL20271334 0.74 HRH4 (0.62) MAP4K4SMN1; SMN2FABP1FABP6MEN1
SCHEMBL15587794 0.73 MAP4K4 (1.00) MAP4K4APP
SCHEMBL30885179 0.73 RAB9A (0.66) MAP4K4SMN1; SMN2APPFABP1FABP6
SCHEMBL19553834 0.73 RAB9A (0.66) MAP4K4SMN1; SMN2APPFABP1FABP6

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
EP-0199951-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-3-NITRO-6-(4-FLUOROBENZYLAMINO) PYRIDINE AND OF 2-AMINO-3-CARBETHOXYAMINO-6-(4-FLUOROBENZYLAMINO) PYRIDINE ASTA Pharma Aktiengesellschaft (DE) 1991-01-23 EP disclosed
US-4785110-A Process for the production of 2-amino-3-nitro-6-(4-fluorobenzylamino)-pyridine DEGUSSA AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
US-4554281-A 2-Amino-3-acylamino-6-benzylamino-pyridine-derivative having antiepileptic action DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-11-19 US disclosed