SCHEMBL10327468

SCHEMBL10327468

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 17/20 0.50
▸ MAPK9 P45984 14/20 0.50
▸ PRKD3 O94806 2/20 0.46
▸ MAPK10 P53779 5/20 0.44
▸ RPS27 P42677 4/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ PRKD2 Q9BZL6 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLQ O75417 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12947079 0.90 MAPK8 (0.45) MAPK8MAPK9PRKD3MAPK10RPS27
SCHEMBL10327289 0.88 MAPK8 (0.43) MAPK8MAPK9PRKD3MAPK10RPS27
SCHEMBL12946926 0.87 MAPK8 (0.42) MAPK8MAPK9PRKD3MAPK10RPS27
SCHEMBL10327478 0.82 ALDH1A1 (0.42) MAPK8MAPK9PRKD3MAP4K4MAP4K2
SCHEMBL13125779 0.80 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10ALDH1A1
SCHEMBL12946909 0.80 ALDH1A1 (0.41) MAPK8MAPK9ALDH1A1
SCHEMBL10327120 0.78 SMN1; SMN2 (0.42) TP53ALDH1A1
SCHEMBL12946855 0.77 NPC1 (0.40) ALDH1A1
SCHEMBL10327539 0.76 MAPK8 (0.51) MAPK8MAPK9PRKD3MAPK10RPS27
SCHEMBL12947039 0.76 MAPK8 (0.38) MAPK8MAPK9PRKD3MAPK10RPS27

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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