SCHEMBL20628444

SCHEMBL20628444

CN1C(=O)c2ccc(F)cc2N(C)c2nc(NC3=CC=C(S(C)(=O)=O)CC3)ncc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 8/20 0.53
▸ DCLK1 O15075 5/20 0.50
▸ PIK3CD O00329 8/20 0.47
▸ PIK3C2G O75747 8/20 0.47
▸ PIK3CG P48736 8/20 0.47
▸ LRRK2 Q5S007 6/20 0.47
▸ AURKA O14965 4/20 0.47
▸ AURKB Q96GD4 4/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ STK3 Q13188 1/20 0.44
▸ NUAK1 O60285 2/20 0.42

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
SCHEMBL21937663 0.83 STK3 (0.64) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL20628289 0.79 PIK3CG (0.75) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL20628288 0.72 PIK3CG (0.71) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL20628569 0.72 STK3 (0.64) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL20628529 0.70 PIK3CD (0.68) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL619880 0.69 MAPK7 (1.00) MAPK7DCLK1LRRK2BRD4
SCHEMBL18371573 0.69 PIK3CG (0.83) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL20628532 0.68 PIK3CG (0.85) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL24687303 0.67 PIK3CG (0.75) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG
SCHEMBL20628502 0.67 PIK3CG (0.75) MAPK7DCLK1PIK3CDPIK3C2GPIK3CG

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
Send feedback