SCHEMBL10686019

SCHEMBL10686019

COc1cccc(N2C3=NCCCN3C(=O)c3cccnc32)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MGLL Q99685 1/20 0.40
EGFR P00533 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
KAT2B Q92831 1/20 0.39
KMT2A Q03164 2/20 0.38
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
CTSD P07339 1/20 0.38
SLC6A2 P23975 2/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10688176 0.94 CACNA2D1 (0.43) CACNA2D1MAPTNPC1MGLLALDH1A1
SCHEMBL10685804 0.86 CASP6 (0.42) MAPTMGLLALDH1A1HTTKMT2A
SCHEMBL10688219 0.84 ALDH1A1 (0.43) CACNA2D1MAPTNPC1ALDH1A1HTT
SCHEMBL10682185 0.82 SCN2A (0.49) MAPTALDH1A1HTTKMT2AL3MBTL1
SCHEMBL10685000 0.81 MAPT (0.39) MAPTNPC1LMNAALDH1A1KAT2B
SCHEMBL10685215 0.79 CASP6 (0.43) MAPTMGLLALDH1A1HTTKMT2A
SCHEMBL10681336 0.77 ALDH1A1 (0.43) CACNA2D1MAPTNPC1LMNAALDH1A1
SCHEMBL10685053 0.76 SCN2A (0.51) MAPTALDH1A1HTTKMT2AL3MBTL1
SCHEMBL10684358 0.74 CYP11B2 (0.49) MAPTALDH1A1HTTL3MBTL1
SCHEMBL10687000 0.74 TSHR (0.40) MAPTNPC1LMNAALDH1A1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220282-A1 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1987-05-06 EP claimed
WO-1986006375-A2 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1986-11-06 WO claimed
US-4725596-A Pyrimidine derivatives having anti-allergy, anti-inflammatory and immuno suppressant activity SCHERING CORPORATION (US) 1988-02-16 US disclosed
EP-0220282-A1 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1987-05-06 EP disclosed
WO-1986006375-A2 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1986-11-06 WO disclosed