SCHEMBL2878746

SCHEMBL2878746

Cn1ncc2c(Nc3cccc(C(=O)N4CCN(c5ccccc5)CC4)c3)nc(N3CCCC3)nc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.61
PIK3CA P42336 4/20 0.59
ATAD2 Q6PL18 1/20 0.48
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GBA1 P04062 1/20 0.47

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
SCHEMBL2859459 0.90 HTR2C (0.49) HTR2CPIK3CAMAPK14GBA1
SCHEMBL2786916 0.81 PIK3CA (0.51) HTR2CPIK3CAMAPK14ALDH1A1POLB
SCHEMBL13943299 0.79 HTR2C (0.88) HTR2CPIK3CA
SCHEMBL2878573 0.79 PIK3CA (0.62) HTR2CPIK3CAALDH1A1POLB
SCHEMBL2857218 0.78 PIK3CA (0.74) HTR2CPIK3CA
SCHEMBL13943726 0.77 HTR2C (0.66) HTR2CPIK3CAALDH1A1
SCHEMBL3754974 0.77 HTR2C (1.00) HTR2CPIK3CA
SCHEMBL2856769 0.77 PIK3CA (0.57) HTR2CPIK3CAALDH1A1POLB
SCHEMBL3761166 0.75 HTR2C (1.00) HTR2CPIK3CAATAD2
SCHEMBL13944361 0.74 PIK3CA (1.00) HTR2CPIK3CA

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed