SCHEMBL3459310

SCHEMBL3459310

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ LMNA P02545 5/20 0.47
▸ MAPT P10636 5/20 0.46
▸ XBP1 P17861 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ EPAS1 Q99814 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3459306 0.91 KDR (0.51) GRK2KDRALDH1A1LMNAMAPT
SCHEMBL967955 0.84 GRK2 (0.45) GRK2ALDH1A1LMNAMAPTXBP1
SCHEMBL3460785 0.80 GRK2 (0.47) GRK2ALDH1A1LMNAMAPTXBP1
SCHEMBL3459651 0.80 AKT1 (0.56) LMNAMAPTKMT2AGAAKDM4E
SCHEMBL967953 0.76 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPTXBP1HTT
SCHEMBL963619 0.75 LMNA (0.53) KDRALDH1A1LMNAMAPTHTT
SCHEMBL966045 0.75 L3MBTL1 (0.47) GRK2KDRALDH1A1LMNAMAPT
SCHEMBL30366730 0.74 ALDH1A1 (0.61) GRK2ALDH1A1LMNAMAPTXBP1
SCHEMBL3460959 0.74 GAA (0.49) GRK2KDRALDH1A1MAPTXBP1
SCHEMBL3460011 0.73 GRK2 (0.44) GRK2ALDH1A1LMNAMAPTXBP1

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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