SCHEMBL757661

SCHEMBL757661

Cc1nc(NC(=O)CN(C)C)cc(-c2c(Nc3ccn(C)n3)nc3cccnn23)n1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.78
PIK3CA P42336 15/20 0.78
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL755585 0.90 MTOR (0.81) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL757042 0.88 MTOR (0.78) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL2787359 0.88 MTOR (1.00) MTORPIK3CAADORA2AADORA1
SCHEMBL11031102 0.88 MTOR (0.77) MTORPIK3CAKDM4EALDH1A1LMNA
SCHEMBL2789558 0.88 MTOR (0.77) MTORPIK3CAMKNK1ABL1
SCHEMBL752869 0.84 MTOR (0.70) MTORPIK3CA
SCHEMBL755586 0.83 MTOR (0.75) MTORPIK3CA
SCHEMBL2786633 0.82 MTOR (0.76) MTORPIK3CAADORA2AADORA1
SCHEMBL2774086 0.81 MTOR (0.69) MTORPIK3CA
SCHEMBL755072 0.81 MTOR (0.73) MTORPIK3CAABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed