SCHEMBL28850503

SCHEMBL28850503

Cc1nc(N)nc(-c2cccc3ccccc23)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
DHFR P00374 1/20 0.55
PIK3CA P42336 10/20 0.44
PIK3CD O00329 4/20 0.44
PIK3CB P42338 4/20 0.44
PIK3CG P48736 4/20 0.44
MTOR P42345 4/20 0.44
HSP90AA1 P07900 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
NUDT1 P36639 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13819637 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DHFRCYP2A6CYP1A2
SCHEMBL2254648 0.87 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2DHFRHSP90AA1HRH3
SCHEMBL20110491 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DHFRCYP2A6CYP1A2
SCHEMBL18212412 0.79 L3MBTL1 (0.66) ALDH1A1SMN1; SMN2DHFRCYP2A6ADORA2A
SCHEMBL28275636 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2DHFRCYP2A6CYP1A2
SCHEMBL23028869 0.78 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2DHFRCYP2A6HPGD
SCHEMBL4036138 0.77 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2PIK3CAPIK3CDPIK3CB
SCHEMBL23028868 0.77 L3MBTL1 (0.61) ALDH1A1SMN1; SMN2DHFRCYP2A6ADORA2A
SCHEMBL12636093 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2DHFRCYP2A6CYP1A2
SCHEMBL23603103 0.74 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2CYP2A6HPGDHSD17B10

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
CN-104583273-B Polyimide precursor, polyimides, polyimide film, polyimide metal laminate and polyimide solution 国立大学法人岩手大学 2018-01-30 CN disclosed
CN-104769012-B Polyimide precursor, polyimide, varnish, polyimide film, and substrate 宇部兴产株式会社 2017-10-03 CN disclosed