SCHEMBL10198786

SCHEMBL10198786

COc1cc(Nc2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
TP53 P04637 3/20 0.58
PIK3CD O00329 2/20 0.52
POLB P06746 2/20 0.51
ACP1 P24666 1/20 0.50
PIK3CA P42336 2/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.46
SLC2A1 P11166 1/20 0.46
APP P05067 2/20 0.46
MAPK1 P28482 1/20 0.45
EGFR P00533 2/20 0.44
PDE5A O76074 1/20 0.44
NR2F2 P24468 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
SCHEMBL29559492 0.83 FLT1 (0.56) MAPTPOLBLMNAHTTAPP
SCHEMBL29558367 0.81 APP (0.47) MAPTTP53LMNAAPPEGFR
SCHEMBL29558864 0.80 APP (0.63) POLBAPPEGFRPDE5A
SCHEMBL29559506 0.80 MEN1 (0.59) MAPTLMNAAPPMAPK1EGFR
SCHEMBL29558267 0.80 LMNA (0.56) MAPTTP53LMNAAPPMAPK1
SCHEMBL29558270 0.79 APP (0.48) MAPTPOLBLMNAHTTSLC2A1
SCHEMBL4018007 0.79 TYMS (0.59) MAPTTP53PIK3CDACP1PIK3CA
SCHEMBL29558471 0.78 FLT1 (0.50) MAPTPOLBLMNAHTTAPP
SCHEMBL189609 0.77 PIK3CD (0.81) MAPTTP53PIK3CDPOLBPIK3CA
SCHEMBL6996100 0.77 PIK3CA (0.55) MAPTTP53PIK3CDPOLBPIK3CA

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-2012006552-A1 COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2012-01-12 WO disclosed