SCHEMBL755854

SCHEMBL755854

Cc1nc(NC(=O)Cc2cccc(F)c2)cc(-c2c(Nc3ccn(C)n3)nc3ccccn23)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.71
PIK3CA P42336 7/20 0.71
MKNK1 Q9BUB5 1/20 0.40
CSNK1D P48730 3/20 0.38
CSNK1E P49674 3/20 0.38
CACNA1G O43497 2/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1I Q9P0X4 2/20 0.38
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKACA P17612 1/20 0.35
ROCK1 Q13464 1/20 0.35
CACNA1C Q13936 1/20 0.35
GLS O94925 1/20 0.35
KCNQ2 O43526 1/20 0.35

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
SCHEMBL752642 0.89 MTOR (0.69) MTORPIK3CACACNA1GCACNA1HCACNA1I
Trifluoroacetic Acid SCHEMBL754788 0.86 MTOR (0.62) MTORPIK3CACSNK1DCACNA1GCACNA1H
SCHEMBL11029468 0.85 MTOR (0.76) MTORPIK3CACSNK1DCSNK1EKDM4E
SCHEMBL2787610 0.83 MTOR (1.00) MTORPIK3CACSNK1DCSNK1EADORA1
SCHEMBL756436 0.83 MTOR (0.76) MTORPIK3CAMKNK1CSNK1DCSNK1E
SCHEMBL752869 0.78 MTOR (0.70) MTORPIK3CA
SCHEMBL751580 0.75 MTOR (0.71) MTORPIK3CA
SCHEMBL755585 0.74 MTOR (0.81) MTORPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL11031102 0.74 MTOR (0.77) MTORPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL753664 0.73 MTOR (0.74) MTORPIK3CAADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed