SCHEMBL20628488

SCHEMBL20628488

Cc1ccc(Nc2ncc3c(n2)N(C)c2ccsc2C(=O)N3C)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 5/20 0.79
PIK3CG P48736 8/20 0.76
AURKA O14965 6/20 0.76
AURKB Q96GD4 6/20 0.76
DCLK1 O15075 4/20 0.76
PIP5K1C O60331 1/20 0.76
ABL1 P00519 1/20 0.76
JAK1 P23458 1/20 0.76
TYK2 P29597 1/20 0.76
PIK3CA P42336 1/20 0.76
RIPK4 P57078 1/20 0.76
STK4 Q13043 1/20 0.76
TAOK1 Q7L7X3 1/20 0.76
ULK2 Q8IYT8 1/20 0.76
PIP4K2C Q8TBX8 1/20 0.76
MAP3K3 Q99759 1/20 0.76
TAOK3 Q9H2K8 1/20 0.76
STK26 Q9P289 1/20 0.76
TAOK2 Q9UL54 1/20 0.76
MAP3K2 Q9Y2U5 1/20 0.76

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
SCHEMBL20628500 0.90 PIK3CG (0.78) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20628550 0.90 STK3 (0.77) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL23219348 0.90 STK3 (0.77) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20628397 0.88 STK3 (1.00) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20628544 0.87 STK3 (0.81) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20628477 0.87 STK3 (0.73) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20628565 0.87 STK3 (1.00) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20628562 0.86 STK3 (0.74) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20609709 0.86 STK4 (1.00) STK3PIK3CGAURKAAURKBDCLK1
SCHEMBL20628573 0.86 AURKA (0.72) STK3PIK3CGAURKAAURKBDCLK1

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