SCHEMBL13719935

SCHEMBL13719935

NCC1CCC(CNc2nc(NCc3cccc(F)c3F)ncc2[N+](=O)[O-])CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 1.00
MAP4K4 O95819 2/20 0.75
CDK1 P06493 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2D6 P10635 2/20 0.75
PIM1 P11309 2/20 0.75
CYP2C9 P11712 2/20 0.75
CDK2 P24941 2/20 0.75
CSNK1D P48730 2/20 0.75
CLK2 P49760 2/20 0.75
GSK3A P49840 2/20 0.75
GSK3B P49841 2/20 0.75
IRAK1 P51617 2/20 0.75
RPS6KA3 P51812 2/20 0.75
CDK5 Q00535 2/20 0.75
PRKCD Q05655 2/20 0.75
PRKAA1 Q13131 2/20 0.75
STK3 Q13188 2/20 0.75
CAMK2B Q13554 2/20 0.75
CAMK2G Q13555 2/20 0.75

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
SCHEMBL13671813 0.93 PRKCQ (0.86) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13794257 0.93 PRKCQ (1.00) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13719862 0.92 PRKCQ (0.86) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13794115 0.90 PRKCQ (1.00) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL3832831 0.89 PRKCQ (0.85) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13793864 0.88 PRKCQ (1.00) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13720166 0.87 PRKCQ (0.80) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13794647 0.86 PRKCQ (1.00) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13719852 0.86 PRKCQ (0.76) PRKCQMAP4K4CDK1CYP3A4CYP2D6
SCHEMBL13719973 0.86 PRKCQ (0.75) PRKCQMAP4K4CDK1CYP3A4CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3706776-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR Epiaxis Therapeutics Pty Ltd (AU) 2020-09-16 EP disclosed
EP-3185858-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR University of Canberra (AU) 2017-07-05 EP disclosed
WO-2016029262-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2016-03-03 WO disclosed
EP-1590334-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (US) 2009-08-19 EP disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed