SCHEMBL3460785

SCHEMBL3460785

Nc1nc(Cl)c(C=O)c(NC(=O)CNc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.47
▸ MAPT P10636 7/20 0.44
▸ LMNA P02545 5/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ XBP1 P17861 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ EPAS1 Q99814 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL966045 0.93 L3MBTL1 (0.47) GRK2MAPTLMNANPSR1ALDH1A1
SCHEMBL3460011 0.86 GRK2 (0.44) GRK2MAPTLMNANPSR1ALDH1A1
SCHEMBL14421500 0.81 L3MBTL1 (0.44) GRK2MAPTLMNANPSR1ALDH1A1
SCHEMBL3459310 0.80 GRK2 (0.49) GRK2MAPTLMNANPSR1ALDH1A1
SCHEMBL964028 0.80 LMNA (0.44) MAPTLMNANPSR1ALDH1A1XBP1
SCHEMBL965312 0.79 GRK2 (0.47) GRK2MAPTLMNANPSR1ALDH1A1
SCHEMBL965220 0.79 GRK2 (0.47) GRK2MAPTLMNANPSR1ALDH1A1
SCHEMBL3460959 0.78 GAA (0.49) GRK2MAPTNPSR1ALDH1A1XBP1
SCHEMBL963620 0.78 LMNA (0.52) MAPTLMNANPSR1ALDH1A1GAA
SCHEMBL966142 0.78 MEN1 (0.54) MAPTLMNANPSR1ALDH1A1XBP1

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
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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