SCHEMBL7937469

SCHEMBL7937469

c1ccc(Nc2nc(Nc3ccccc3)c3ncnc(Nc4ccccc4)c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.55
NPY5R Q15761 3/20 0.51
MKNK2 Q9HBH9 2/20 0.50
IGF1R P08069 2/20 0.49
MAP4K4 O95819 2/20 0.49
MAPK8 P45983 2/20 0.49
RPS6KA3 P51812 2/20 0.49
LIMK1 P53667 2/20 0.49
MAP4K2 Q12851 2/20 0.49
AURKB Q96GD4 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
PDPK1 O15530 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
NTRK1 P04629 1/20 0.49
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49

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
SCHEMBL7940127 0.88 NPY5R (0.63) NPY5RMKNK2IGF1RMAP4K4MAPK8
SCHEMBL7939982 0.84 KDR (0.50) EGFRNPY5RAURKAJAK2FLT1
SCHEMBL9352009 0.80 AURKA (0.55) EGFRNPY5RAURKAPDPK1LCK
SCHEMBL13320047 0.78 IGF1R (0.54) NPY5RMKNK2IGF1RMAP4K4MAPK8
SCHEMBL8318514 0.78 EGFR (0.81) EGFRMKNK2IGF1RMAP4K4MAPK8
SCHEMBL459413 0.72 IGF1R (0.51) NPY5RMKNK2IGF1RMAP4K4MAPK8
SCHEMBL7940120 0.72 BCL6 (0.54) EGFRIGF1RBCL6KDM4EALDH1A1
SCHEMBL7937566 0.72 MAPT (0.54) EGFRAURKAABL1LRRK2KDM4E
SCHEMBL824411 0.72 BCL6 (0.74) MKNK2IGF1RMAP4K4MAPK8RPS6KA3
SCHEMBL8316202 0.71 EGFR (0.55) EGFRMKNK2MAP4K4MAPK8RPS6KA3

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
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed