SCHEMBL17538460

SCHEMBL17538460

[O-][S+](Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 10/20 0.62
▸ SKP2 Q13309 10/20 0.62
▸ TOP2A P11388 1/20 0.43
▸ CLK1 P49759 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ KIF11 P52732 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
SCHEMBL17538429 0.91 CKS1B (0.60) CKS1BSKP2TOP2A
SCHEMBL21869714 0.79 CKS1B (0.65) CKS1BSKP2TOP2ACLK1DYRK1A
SCHEMBL17506545 0.77 CKS1B (1.00) CKS1BSKP2CLK1IDH2
SCHEMBL21869737 0.75 CKS1B (0.60) CKS1BSKP2TOP2ACLK1DYRK1A
SCHEMBL17506544 0.67 CKS1B (1.00) CKS1BSKP2CLK1
SCHEMBL21869662 0.66 CKS1B (0.60) CKS1BSKP2DYRK1ACYP11B1CYP11B2
SCHEMBL17538433 0.65 CKS1B (0.60) CKS1BSKP2
SCHEMBL21869671 0.65 CKS1B (0.64) CKS1BSKP2DYRK1ACYP11B1CYP11B2
SCHEMBL17506533 0.65 CKS1B (1.00) CKS1BSKP2
SCHEMBL10940225 0.65 NPY5R (0.64) NPY5RCYP11B1CYP11B2PIM1KCNA5

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-2016025779-A1 QUINOLINE DERIVATIVES USEFUL AS UBIQUITINATION INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-02-18 — — WO disclosed
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