SCHEMBL2861201

SCHEMBL2861201

CCCn1ncc2c(Nc3cccc(S(=O)(=O)NCc4cc(F)cc(F)c4)c3)nc(N3CCCC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.46
HTR2C P28335 11/20 0.45
SRC P12931 3/20 0.40
ABL1 P00519 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.37

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
SCHEMBL2807570 0.78 PIK3CA (0.56) PIK3CAHTR2CSRCABL1
SCHEMBL2856457 0.76 PIK3CA (0.52) PIK3CAHTR2CSRCABL1POLB
SCHEMBL2786916 0.76 PIK3CA (0.51) PIK3CAHTR2CSRCABL1POLB
SCHEMBL2788332 0.74 PIK3CA (0.55) PIK3CAHTR2CSRCABL1KMT2A
SCHEMBL2856769 0.73 PIK3CA (0.57) PIK3CAHTR2CPOLB
SCHEMBL2859459 0.71 HTR2C (0.49) PIK3CAHTR2CSRCABL1KMT2A
SCHEMBL2808009 0.71 HTR2C (0.60) HTR2C
SCHEMBL2786942 0.71 HRH4 (0.54) HTR2CSRCABL1
SCHEMBL2857759 0.70 ALDH1A1 (0.44) PIK3CAHTR2CSRCABL1KMT2A
SCHEMBL2857218 0.70 PIK3CA (0.74) 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