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SCHEMBL760864

SCHEMBL760864

Cc1nc(NC(=O)CC(F)(F)F)cc(-c2c(N(C(=O)CC(F)(F)F)c3ccn(C)n3)nc3ccccn23)n1.Cc1nc(NC(=O)c2cccc(C#N)c2)cc(-c2c(Nc3ccn(C)n3)nc3cccnn23)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 11/20 0.51
▸ PIK3CA P42336 10/20 0.51
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ MAPK13 O15264 4/20 0.31
▸ MAPK12 P53778 4/20 0.31
▸ MAPK11 Q15759 4/20 0.31
▸ MAPK14 Q16539 4/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL2789910 0.83 MTOR (0.71) MTORPIK3CAMAPK13MAPK12MAPK11
SCHEMBL11028255 0.81 MTOR (0.53) MTORPIK3CACSNK1DCSNK1E
SCHEMBL11031102 0.80 MTOR (0.77) MTORPIK3CA
SCHEMBL11029468 0.78 MTOR (0.76) MTORPIK3CACSNK1DCSNK1E
SCHEMBL2789558 0.74 MTOR (0.77) MTORPIK3CAABL1
SCHEMBL755585 0.73 MTOR (0.81) MTORPIK3CAMAPK13MAPK12MAPK11
SCHEMBL757661 0.71 MTOR (0.78) MTORPIK3CAABL1
SCHEMBL756436 0.71 MTOR (0.76) MTORPIK3CACSNK1DCSNK1EABL1
SCHEMBL757042 0.70 MTOR (0.78) MTORPIK3CA
SCHEMBL2787359 0.70 MTOR (1.00) MTORPIK3CA

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
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 — — EP claimed