SCHEMBL2807943

SCHEMBL2807943

Brc1cccc(Nc2nc(N3CCCC3)nc3c2cnn3CCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.68
HCK P08631 1/20 0.54
PIM1 P11309 1/20 0.54
PIK3CA P42336 1/20 0.52
ABL1 P00519 6/20 0.50
HTR2C P28335 3/20 0.48
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2788589 0.89 SRC (0.68) SRCHCKPIM1PIK3CAABL1
SCHEMBL2807570 0.88 PIK3CA (0.56) SRCPIK3CAABL1HTR2CRAB9A
SCHEMBL17726036 0.81 SRC (1.00) SRCHCKPIM1ABL1
SCHEMBL2784908 0.81 SRC (0.59) SRCHCKPIM1PIK3CAABL1
SCHEMBL2807509 0.80 SRC (0.54) SRCHCKPIM1PIK3CAHTR2C
SCHEMBL2804830 0.79 PIK3CA (0.73) SRCHCKPIM1PIK3CAABL1
SCHEMBL2875828 0.77 SRC (0.52) SRCABL1HTR2CUSP2RAB9A
SCHEMBL2810687 0.76 PIK3CA (0.54) SRCPIK3CAABL1HTR2CUSP2
SCHEMBL2788332 0.76 PIK3CA (0.55) SRCPIK3CAABL1HTR2C
SCHEMBL2811187 0.73 PDE2A (0.48) SRCABL1USP2RAB9A

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