SCHEMBL13891741

SCHEMBL13891741

CN(C)c1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.46
PIK3R1 P27986 7/20 0.46
TACR1 P25103 4/20 0.39
PIK3CA P42336 3/20 0.36
PIK3CG P48736 1/20 0.36
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL13891619 0.90 MTOR (0.47) MTORPIK3R1TACR1PIK3CAPIK3CG
SCHEMBL13891704 0.89 PIK3R1 (0.46) MTORPIK3R1TACR1PIK3CACASP1
SCHEMBL13891717 0.82 ADRB2 (0.43) MTORPIK3R1TACR1PIK3CACASP1
SCHEMBL13891705 0.82 MTOR (0.38) MTORPIK3R1TACR1PIK3CAPIK3CG
SCHEMBL13891764 0.82 PIK3R1 (0.38) MTORPIK3R1TACR1PIK3CACASP1
SCHEMBL13891687 0.80 PIK3R1 (0.41) MTORPIK3R1TACR1CASP1CASP5
SCHEMBL13891713 0.76 TACR1 (0.42) TACR1ROCK2ROCK1
SCHEMBL13891738 0.76 TACR1 (0.41) TACR1ROCK2ROCK1
SCHEMBL13891719 0.74 TACR1 (0.48) TACR1CASP1CASP5BRAFROCK2
SCHEMBL6508415 0.74 TACR1 (0.44) MTORPIK3R1TACR1

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-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 EP disclosed