SCHEMBL16730769

SCHEMBL16730769

Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C(=O)CCOCCOCCOCCOCCI)CC6)c(C(F)(F)F)c5)c4c3c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.63
PIK3CA P42336 4/20 0.63
PIK3CD O00329 2/20 0.63
PIK3C2A O00443 2/20 0.63
PIK3C2B O00750 2/20 0.63
PIK3R1 P27986 2/20 0.63
PIK3CG P48736 2/20 0.63
PRKDC P78527 2/20 0.63
RPTOR Q8N122 2/20 0.63
PIK3C3 Q8NEB9 2/20 0.63
MLST8 Q9BVC4 2/20 0.63
PI4KB Q9UBF8 2/20 0.63
CDC42BPA Q5VT25 1/20 0.63
RICTOR Q6R327 1/20 0.63
MAPKAP1 Q9BPZ7 1/20 0.63
PIK3CB P42338 1/20 0.52
ATM Q13315 1/20 0.52
ATR Q13535 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52

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
SCHEMBL18068256 0.94 MTOR (0.67) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16719264 0.91 MTOR (0.61) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL18069550 0.89 MTOR (0.60) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16731009 0.88 MTOR (0.58) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL18068255 0.87 MTOR (0.81) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16719263 0.86 MTOR (0.70) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL23158114 0.85 MTOR (0.78) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL6878221 0.85 MTOR (0.69) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16719179 0.84 MTOR (0.68) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL11885747 0.83 MTOR (0.74) MTORPIK3CAPIK3CDPIK3C2APIK3C2B

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-2015073804-A2 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-05-21 WO disclosed