SCHEMBL3460790

SCHEMBL3460790

CCOc1nc(N)nc(NC(=O)[C@H](COC)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 10/20 0.41
▸ MAPK9 P45984 8/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ SYK P43405 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK10 P53779 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ PKN2 Q16513 1/20 0.38

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
SCHEMBL12947088 0.94 SMN1; SMN2 (0.41) MAPK8MAPK9PRKD3SYKALDH1A1
SCHEMBL965756 0.93 MAPK8 (0.41) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL3460097 0.91 MAPK8 (0.40) MAPK8MAPK9PRKD3SYKALDH1A1
SCHEMBL968349 0.90 MAPK8 (0.41) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL968116 0.90 MAPK8 (0.39) MAPK8MAPK9PRKD3SYKALDH1A1
SCHEMBL3461155 0.89 MAPK8 (0.44) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL963869 0.89 MAPK8 (0.39) MAPK8MAPK9PRKD3SYKALDH1A1
SCHEMBL968604 0.87 MAPK8 (0.39) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL968602 0.87 MAPK8 (0.39) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL968112 0.86 MAPK8 (0.37) MAPK8MAPK9PRKD3ALDH1A1KMT2A

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