SCHEMBL5501899

SCHEMBL5501899

CNc1cc(C)nc(-n2nc(C)cc2C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 1.00
TP53 P04637 2/20 0.66
ALDH1A1 P00352 1/20 0.64
POLB P06746 3/20 0.62
KCNN3 Q9UGI6 3/20 0.61
KCNN2 Q9H2S1 1/20 0.61
HTT P42858 1/20 0.60
LMNA P02545 2/20 0.59
HIF1A Q16665 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL946948 0.83 HTT (0.75) ALOX15TP53ALDH1A1POLBKCNN3
Hydrochloric Acid SCHEMBL946927 0.81 HTT (0.72) ALOX15TP53ALDH1A1POLBKCNN3
SCHEMBL4215477 0.80 TP53 (1.00) ALOX15TP53ALDH1A1POLBKCNN3
SCHEMBL4219187 0.80 TP53 (0.79) ALOX15TP53ALDH1A1POLBKCNN3
SCHEMBL4138642 0.79 HTT (0.68) ALOX15TP53ALDH1A1POLBHTT
SCHEMBL4210136 0.79 ALDH1A1 (1.00) ALOX15TP53ALDH1A1POLBKCNN3
SCHEMBL25199209 0.77 TP53 (0.80) ALOX15TP53ALDH1A1POLBKCNN3
SCHEMBL4207857 0.77 KCNN3 (0.97) ALOX15TP53ALDH1A1POLBKCNN3
SCHEMBL4212917 0.77 TP53 (0.80) ALOX15TP53POLBKCNN3KCNN2
SCHEMBL15573820 0.77 POLB (0.72) ALOX15TP53ALDH1A1POLBKCNN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863796-A1 PYRAZOLYL-PYRIMIDINES AS POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-12 EP disclosed
WO-2006100212-A1 PYRAZOLYL-PYRIMIDINES AS POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-09-28 WO disclosed