SCHEMBL15975840

SCHEMBL15975840

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3nn4c(-c5cnc(N)c(C(C)(F)F)c5)cnc4s3)cc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.47
MET P08581 2/20 0.36
PIK3CD O00329 1/20 0.35
ROCK2 O75116 1/20 0.34
PARP1 P09874 1/20 0.34
SYK P43405 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PIK3R1 P27986 1/20 0.33

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
SCHEMBL2124315 0.96 PIK3CA (0.53) PIK3CAMETPIK3CDROCK2SYK
SCHEMBL2124319 0.84 PIK3CA (0.38) PIK3CAMETPIK3CDSYK
SCHEMBL532360 0.84 PIK3CD (0.38) PIK3CDROCK2PARP1
SCHEMBL531960 0.81 PIK3CA (0.56) PIK3CAMET
SCHEMBL15975833 0.75 PIK3CA (0.48) PIK3CAPIK3CD
SCHEMBL532361 0.74 PIK3CD (0.38) PIK3CDPARP1
SCHEMBL532710 0.73 PIK3CA (0.58) PIK3CAPIK3CD
SCHEMBL627431 0.73 PIK3CA (0.48) PIK3CA
SCHEMBL627019 0.72 PIK3CA (0.47) PIK3CAHDAC1HDAC2
SCHEMBL15975821 0.72 PIK3CA (0.86) PIK3CA

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
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed