SCHEMBL10181013

SCHEMBL10181013

Cc1c(Oc2ccc(N(C)C(=O)c3ccc(C(F)(F)F)cc3)cn2)ccc2c1cc(C(=O)N1CCN(Cc3ccc(C(C)C)cc3)CC1)n2C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 7/20 0.46
PIK3CA P42336 4/20 0.46
STAT3 P40763 12/20 0.44
PRKAB2 O43741 3/20 0.41
PRKAG1 P54619 3/20 0.41
PRKAA1 Q13131 3/20 0.41
PRKAG3 Q9UGI9 3/20 0.41
PRKAG2 Q9UGJ0 3/20 0.41
PRKAB1 Q9Y478 3/20 0.41
MLNR O43193 1/20 0.38

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
Bromide SCHEMBL3062620 0.99 PRKAA2 (0.46) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
Bromide SCHEMBL3047165 0.92 STAT3 (0.46) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
SCHEMBL3059301 0.92 STAT3 (0.52) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
SCHEMBL3067020 0.91 STAT3 (0.46) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
Bromide SCHEMBL3056431 0.91 STAT3 (0.47) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
Bromide SCHEMBL3055979 0.90 PRKAA2 (0.45) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
Bromide SCHEMBL3058139 0.90 STAT3 (0.46) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
SCHEMBL3055561 0.88 PRKAA2 (0.43) PRKAA2PIK3CASTAT3PRKAB2PRKAG1
Bromide SCHEMBL3062626 0.86 PIK3CA (0.38) PRKAA2PIK3CASTAT3MLNR
Bromide SCHEMBL3065308 0.86 STAT3 (0.59) STAT3

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP claimed