SCHEMBL1917458

SCHEMBL1917458

CN(CCC[As](C)C)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 6/20 0.40
STK17B O94768 3/20 0.40
ULK1 O75385 2/20 0.39
PTK2 Q05397 3/20 0.39
PTK2B Q14289 1/20 0.39
JAK3 P52333 1/20 0.38
CHEK1 O14757 1/20 0.38
CYP1A2 P05177 1/20 0.37
CNR2 P34972 1/20 0.37
BRD4 O60885 1/20 0.37
CDK1 P06493 3/20 0.36
EGFR P00533 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36

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
SCHEMBL3289710 0.89 CHEK1 (0.46) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL1918007 0.87 CHEK1 (0.43) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL3284549 0.87 CHEK1 (0.43) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL3285334 0.85 STK17A (0.42) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL3283735 0.84 KDR (0.43) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL1918469 0.83 CHEK1 (0.42) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL1917556 0.81 PTK2 (0.43) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL1917545 0.79 JAK3 (0.49) STK17ASTK17BULK1PTK2PTK2B
SCHEMBL3284100 0.79 PTK2 (0.47) ULK1PTK2PTK2BJAK3CYP1A2
SCHEMBL1918200 0.78 PTK2 (0.42) STK17ASTK17BULK1PTK2PTK2B

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-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 EP disclosed