SCHEMBL7276486

SCHEMBL7276486

COc1cc2ncnc(N3CCC(NC(=O)[C@@H](N)C(C)C)CC3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.59
ACHE P22303 2/20 0.58
BACE1 P56817 2/20 0.58
MAPK1 P28482 1/20 0.56
PDGFRB P09619 9/20 0.52
PDGFRA P16234 3/20 0.52
KIT P10721 2/20 0.52
FLT3 P36888 2/20 0.52
PDE10A Q9Y233 1/20 0.51

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
Hydrochloric Acid SCHEMBL10798406 0.99 ENPP1 (0.58) ENPP1ACHEBACE1MAPK1PDGFRB
Hydrochloric Acid SCHEMBL10797414 0.86 ENPP1 (0.61) ENPP1ACHEBACE1MAPK1PDGFRB
SCHEMBL7274375 0.85 ENPP1 (0.65) ENPP1ACHEBACE1MAPK1PDGFRB
SCHEMBL24391608 0.84 ENPP1 (0.67) ENPP1ACHEBACE1MAPK1PDGFRB
SCHEMBL27339358 0.82 ACHE (0.58) ENPP1ACHEBACE1MAPK1PDGFRB
SCHEMBL10802322 0.82 ENPP1 (0.52) ENPP1ACHEBACE1MAPK1PDGFRB
SCHEMBL4965169 0.80 ENPP1 (0.61) ENPP1ACHEBACE1MAPK1PDGFRB
SCHEMBL4966832 0.79 PDGFRB (0.71) ENPP1PDGFRBPDGFRAKITFLT3
SCHEMBL7283483 0.79 ENPP1 (0.67) ENPP1ACHEBACE1MAPK1PDE10A
SCHEMBL4965829 0.79 PDGFRB (0.62) ENPP1ACHEBACE1MAPK1PDGFRB

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
US-4668683-A Cardiotonic quinazoline derivatives KYOWA HAKKO KOGYO K.K. (JP) 1987-05-26 US disclosed
EP-0195667-A2 Cardiotonic quinazoline derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1986-09-24 EP disclosed