SCHEMBL8319664

SCHEMBL8319664

COc1ccc(CCc2nc3cn(-c4ccc(C(F)(F)F)cc4)nc3c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.52
ADORA2A P29274 2/20 0.48
ADORA3 P0DMS8 16/20 0.47
ACP1 P24666 2/20 0.44

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
SCHEMBL8466205 0.80 ACP1 (0.42) ACP1
SCHEMBL27498531 0.71 MEN1 (0.45) ACP1
SCHEMBL10900630 0.70 MEN1 (0.63)
SCHEMBL27527097 0.68 MIF (0.42) ADORA3
SCHEMBL3650858 0.66 GABRA1 (0.52) ADORA3ACP1
SCHEMBL27498533 0.65 NPBWR1 (0.46)
SCHEMBL6153284 0.65 BACE1 (0.44)
SCHEMBL5904565 0.65 BACE1 (0.44)
SCHEMBL5904572 0.65 BACE1 (0.44)
SCHEMBL5904609 0.64 TP53 (0.39)

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-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP claimed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO claimed