SCHEMBL751578

SCHEMBL751578

CC(=O)Nc1cc(-c2c(Nc3cc[nH]n3)nc3c(F)cccn23)nc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.53
PIK3CA P42336 7/20 0.53
ADORA2A P29274 7/20 0.39
ADORA3 P0DMS8 4/20 0.39
TGFBR1 P36897 3/20 0.35
TGFBR2 P37173 2/20 0.35
ADORA1 P30542 2/20 0.34
CYP3A4 P08684 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
SCHEMBL7890147 0.88 PIK3CA (0.39) MTORPIK3CA
SCHEMBL752556 0.85 MTOR (0.72) MTORPIK3CAADORA2AADORA3ADORA1
SCHEMBL753664 0.84 MTOR (0.74) MTORPIK3CAADORA2AADORA3TGFBR1
SCHEMBL11032319 0.84 MTOR (0.58) MTORPIK3CAADORA2AADORA3TGFBR1
SCHEMBL756037 0.84 PIK3CA (0.46) MTORPIK3CA
SCHEMBL11028514 0.80 PIK3CA (0.37) MTORPIK3CA
SCHEMBL11031679 0.79 MTOR (0.49) MTORPIK3CAADORA2AADORA3TGFBR1
SCHEMBL755161 0.77 MTOR (0.71) MTORPIK3CAADORA2AADORA1
SCHEMBL755430 0.76 PIK3CA (0.41) MTORPIK3CA
SCHEMBL2788163 0.75 MTOR (0.57) MTORPIK3CAADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed