SCHEMBL20628526

SCHEMBL20628526

C=CC1=C(/C=C\C)Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2N(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 16/20 0.53
▸ AURKA O14965 3/20 0.53
▸ PIK3CG P48736 3/20 0.53
▸ AURKB Q96GD4 3/20 0.53
▸ DCLK1 O15075 2/20 0.53
▸ STK3 Q13188 2/20 0.53
▸ PIP5K1C O60331 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ JAK1 P23458 1/20 0.53
▸ TYK2 P29597 1/20 0.53
▸ PIK3CA P42336 1/20 0.53
▸ RIPK4 P57078 1/20 0.53
▸ TAOK1 Q7L7X3 1/20 0.53
▸ ULK2 Q8IYT8 1/20 0.53
▸ PIP4K2C Q8TBX8 1/20 0.53
▸ MAP3K3 Q99759 1/20 0.53
▸ TAOK3 Q9H2K8 1/20 0.53
▸ STK26 Q9P289 1/20 0.53
▸ TAOK2 Q9UL54 1/20 0.53
▸ MAP3K2 Q9Y2U5 1/20 0.53

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
SCHEMBL20628525 0.77 AURKA (0.69) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL20628511 0.70 DCLK1 (0.60) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL24687407 0.70 STK4 (0.57) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL20628276 0.69 PIK3CG (0.57) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL20609709 0.69 STK4 (1.00) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL29366935 0.69 STK4 (1.00) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL24071018 0.69 STK4 (0.65) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL10098763 0.69 PIK3CG (1.00) STK4AURKAPIK3CGAURKBDCLK1
SCHEMBL21938547 0.67 PIK3CD (0.70) AURKAPIK3CGAURKBDCLK1STK3
SCHEMBL23998724 0.67 STK4 (1.00) STK4AURKAPIK3CGAURKBDCLK1

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-3424929-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2019-01-09 — — EP disclosed
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