SCHEMBL2807570

SCHEMBL2807570

CCCn1ncc2c(Nc3cccc(Br)c3)nc(N3CCCC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.56
SRC P12931 10/20 0.54
HTR2C P28335 4/20 0.50
ABL1 P00519 7/20 0.49
CCR4 P51679 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL2807943 0.88 SRC (0.68) PIK3CASRCHTR2CABL1RAB9A
SCHEMBL2856457 0.84 PIK3CA (0.52) PIK3CASRCHTR2CABL1NPC1
SCHEMBL2788332 0.83 PIK3CA (0.55) PIK3CASRCHTR2CABL1
SCHEMBL2786916 0.83 PIK3CA (0.51) PIK3CASRCHTR2CABL1NPC1
SCHEMBL2859459 0.79 HTR2C (0.49) PIK3CASRCHTR2CABL1NPC1
SCHEMBL2882852 0.78 HTR2C (0.61) PIK3CASRCHTR2CABL1
SCHEMBL2861201 0.78 PIK3CA (0.46) PIK3CASRCHTR2CABL1
SCHEMBL2788589 0.76 SRC (0.68) PIK3CASRCHTR2CABL1
SCHEMBL2857759 0.76 ALDH1A1 (0.44) PIK3CASRCHTR2CABL1
SCHEMBL2786942 0.76 HRH4 (0.54) SRCHTR2CABL1

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