SCHEMBL16628749

SCHEMBL16628749

CCc1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.73
HSP90AB1 P08238 4/20 0.71
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 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
SCHEMBL16628727 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1MAPT
SCHEMBL13180105 0.90 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3089971 0.89 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL3099258 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL12273440 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL12273815 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL27869702 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1DPP8DPP9DPP7
SCHEMBL3087837 0.88 HSP90AA1 (0.76) HSP90AA1HSP90AB1DPP8DPP9DPP7
SCHEMBL13961635 0.88 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL12273502 0.88 HSP90AA1 (0.72) HSP90AA1HSP90AB1

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-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed