SCHEMBL2882852

SCHEMBL2882852

CCCn1ncc2c(Nc3ccc(N4CCOCC4)cc3)nc(N3CCCC3)nc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.61
PIK3CA P42336 2/20 0.50
ABL1 P00519 1/20 0.49
SRC P12931 1/20 0.49
JAK2 O60674 1/20 0.46
HTR2A P28223 2/20 0.45

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) HTR2CPIK3CAABL1SRC
SCHEMBL2808009 0.78 HTR2C (0.60) HTR2C
SCHEMBL3764795 0.76 HTR2C (1.00) HTR2CPIK3CAHTR2A
SCHEMBL2859459 0.75 HTR2C (0.49) HTR2CPIK3CAABL1SRC
SCHEMBL2856457 0.75 PIK3CA (0.52) HTR2CPIK3CAABL1SRC
SCHEMBL2786916 0.74 PIK3CA (0.51) HTR2CPIK3CAABL1SRC
SCHEMBL2788332 0.74 PIK3CA (0.55) HTR2CPIK3CAABL1SRC
SCHEMBL2786942 0.73 HRH4 (0.54) HTR2CABL1SRCHTR2A
SCHEMBL3639651 0.73 TACR2 (0.56) HTR2CJAK2
SCHEMBL3763237 0.73 HTR2C (1.00) HTR2CPIK3CAHTR2A

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