SCHEMBL23399463

SCHEMBL23399463

Cc1cccc(-n2nc(C(C)(C)C)c(C(C)(C)C)c2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.55
MAPK14 Q16539 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK9 P45984 1/20 0.43
DDR2 Q16832 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
RPA1 P27694 1/20 0.40
PRKCZ Q05513 1/20 0.40
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL23400132 0.87 RIPK2 (0.56) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400910 0.87 ALDH1A1 (0.49) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400730 0.83 ATM (0.46) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401635 0.82 MAPK14 (0.46) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402073 0.82 ALDH1A1 (0.47) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402443 0.82 RIPK2 (0.52) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23403711 0.82 RIPK2 (0.43) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400995 0.81 CDK8 (0.43) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400036 0.81 RIPK2 (0.51) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401145 0.81 RIPK2 (0.56) RIPK2MAPK14MAPK13MAPK12MAPK11

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed