SCHEMBL17387516

SCHEMBL17387516

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3S(=O)(=O)N3CC[C@H](F)C3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.59
HSP90AB1 P08238 3/20 0.53
ALOX5AP P20292 9/20 0.44
FEN1 P39748 9/20 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
SCHEMBL17387517 1.00 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL2510037 0.93 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL12199675 0.92 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL17387523 0.90 HSP90AA1 (0.62) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL12199670 0.90 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL2509529 0.88 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL2512968 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL12199674 0.88 HSP90AA1 (0.55) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL3097085 0.86 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL12199676 0.86 HSP90AA1 (0.62) HSP90AA1HSP90AB1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP claimed