SCHEMBL12801103

SCHEMBL12801103

COc1ccc(Nc2nccc(-c3ccc(NC(C)=O)c(N)c3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ JAK2 O60674 5/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ CAMKK2 Q96RR4 3/20 0.49
▸ PIK3CG P48736 3/20 0.49
▸ MAPK8 P45983 2/20 0.49
▸ PLK1 P53350 1/20 0.49
▸ PRKCA P17252 3/20 0.48
▸ EGFR P00533 2/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ PRKD3 O94806 2/20 0.46
▸ PRKCG P05129 2/20 0.46
▸ PRKCB P05771 2/20 0.46
▸ LCK P06239 2/20 0.46
▸ PRKCH P24723 2/20 0.46
▸ PRKCI P41743 2/20 0.46

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
SCHEMBL12801296 0.87 JAK2 (0.52) IKBKBHDAC1JAK2JAK3CAMKK2
SCHEMBL12275484 0.86 JAK2 (0.48) IKBKBJAK2JAK3CAMKK2PIK3CG
SCHEMBL12801541 0.85 JAK2 (0.56) IKBKBJAK2JAK3CAMKK2PIK3CG
SCHEMBL12801101 0.83 JAK2 (0.58) IKBKBJAK2JAK3CAMKK2PIK3CG
SCHEMBL12801645 0.83 PIK3CG (0.55) IKBKBHDAC1JAK2JAK3PIK3CG
SCHEMBL12801096 0.83 JAK2 (0.61) IKBKBHDAC1JAK2JAK3PIK3CG
SCHEMBL12800912 0.82 JAK2 (0.53) IKBKBJAK2JAK3PIK3CGPLK1
SCHEMBL12801115 0.81 PIK3CG (0.57) IKBKBJAK2PIK3CGPRKCAEGFR
SCHEMBL12801280 0.80 IKBKB (0.58) IKBKBHDAC1JAK2JAK3CAMKK2
SCHEMBL12522350 0.80 IKBKB (0.59) IKBKBJAK2JAK3CAMKK2PIK3CG

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
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 — — WO disclosed
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