SCHEMBL2856769

SCHEMBL2856769

Cn1ncc2c(Nc3cccc(C(=O)NCc4cc(F)cc(F)c4)c3)nc(N3CCCC3)nc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.57
HTR2C P28335 13/20 0.56
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2857218 0.80 PIK3CA (0.74) PIK3CAHTR2C
SCHEMBL2878573 0.79 PIK3CA (0.62) PIK3CAHTR2CALDH1A1POLB
SCHEMBL2878746 0.77 HTR2C (0.61) PIK3CAHTR2CALDH1A1POLB
SCHEMBL2805981 0.74 HTR2C (0.98) PIK3CAHTR2C
SCHEMBL2856457 0.74 PIK3CA (0.52) PIK3CAHTR2CALDH1A1POLB
SCHEMBL13944361 0.73 PIK3CA (1.00) PIK3CAHTR2C
SCHEMBL3755710 0.73 HTR2C (1.00) PIK3CAHTR2C
SCHEMBL2861201 0.73 PIK3CA (0.46) PIK3CAHTR2CPOLB
SCHEMBL2786916 0.73 PIK3CA (0.51) PIK3CAHTR2CALDH1A1POLB
SCHEMBL13947043 0.72 PIK3CA (0.79) PIK3CAHTR2C

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