SCHEMBL14536732

SCHEMBL14536732

COc1cccc(CCC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.66
SRC P12931 2/20 0.66
IGF1R P08069 12/20 0.59
PDPK1 O15530 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
INSR P06213 1/20 0.59
KDR P35968 1/20 0.59
MAP2K1 Q02750 1/20 0.59
TNK2 Q07912 5/20 0.52
FGFR1 P11362 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
PRKDC P78527 1/20 0.49
RICTOR Q6R327 1/20 0.49
RPTOR Q8N122 1/20 0.49
MAPKAP1 Q9BPZ7 1/20 0.49
MLST8 Q9BVC4 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
SCHEMBL593668 0.93 RAF1 (0.68) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL593629 0.89 RAF1 (0.68) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL6940279 0.89 RAF1 (0.66) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL6936666 0.85 SRC (0.75) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL594492 0.84 RAF1 (0.78) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL8074104 0.83 RAF1 (0.70) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL595217 0.83 RAF1 (0.72) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL6940312 0.83 RAF1 (0.77) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL594970 0.83 RAF1 (0.79) RAF1SRCIGF1RPDPK1ABL1
SCHEMBL593448 0.82 RAF1 (0.82) RAF1SRCIGF1RPDPK1ABL1

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-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed