SCHEMBL1670901

SCHEMBL1670901

CC(C)(C)[C@@]1(C(=O)O)CCCN1Cc1cc(Nc2nccc(-c3cccc(C#N)c3)n2)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMG1 Q96Q15 1/20 0.51
▸ JAK2 O60674 13/20 0.48
▸ JAK3 P52333 8/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ TYK2 P29597 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.44
▸ CCNT1 O60563 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ BRD4 O60885 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
SCHEMBL1670895 0.85 SMG1 (0.51) SMG1JAK2JAK3JAK1TYK2
SCHEMBL1667462 0.81 SMG1 (0.65) SMG1JAK2JAK3JAK1TYK2
SCHEMBL1670898 0.80 SMG1 (0.50) SMG1JAK2JAK3JAK1TYK2
SCHEMBL12921615 0.80 SMG1 (0.50) SMG1JAK2JAK3JAK1TYK2
SCHEMBL11962934 0.75 SMG1 (0.68) SMG1JAK2JAK3JAK1TYK2
SCHEMBL30051959 0.73 JAK2 (0.77) SMG1JAK2JAK3JAK1TYK2
SCHEMBL1667134 0.73 JAK2 (0.77) SMG1JAK2JAK3JAK1TYK2
SCHEMBL12275374 0.70 SMG1 (0.57) SMG1JAK2JAK3JAK1TYK2
SCHEMBL12921710 0.70 JAK2 (0.49) SMG1JAK2JAK3JAK1TYK2
SCHEMBL12948484 0.70 JAK2 (0.54) SMG1JAK2JAK3JAK1TYK2

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 2 patents. 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 claimed
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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