SCHEMBL10327149

SCHEMBL10327149

CN(C)c1nc(N)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPT P10636 8/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL968564 0.88 KMT2A (0.61) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL10327053 0.85 MAPT (0.55) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL10327384 0.82 LMNA (0.48) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL12947374 0.79 MAPT (0.52) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL964265 0.79 KMT2A (0.78) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL963620 0.78 LMNA (0.52) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL966884 0.78 MAPT (0.54) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL968558 0.78 LMNA (0.56) LMNAALDH1A1KMT2ATSHRMAPT
SCHEMBL10327348 0.78 AKT1 (0.52) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL10327084 0.78 LMNA (0.52) LMNAALDH1A1KMT2ATSHRMAPT

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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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