SCHEMBL16606882

SCHEMBL16606882

O=C1Nc2cc(Nc3ncnc(Nc4ccc5c(c4)OC(F)(F)O5)n3)ccc2OC1(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.51
JAK3 P52333 2/20 0.51
SYK P43405 8/20 0.47
JAK2 O60674 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47
FGFR4 P22455 1/20 0.47
ULK1 O75385 1/20 0.43
TYK2 P29597 1/20 0.39
PIK3CA P42336 1/20 0.36
BRAF P15056 3/20 0.35
CDC7 O00311 2/20 0.34
KIT P10721 2/20 0.34
NOTUM Q6P988 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL16606908 0.87 JAK1 (0.49) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606875 0.87 JAK1 (0.49) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606919 0.87 JAK1 (0.51) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606904 0.85 JAK1 (0.52) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606950 0.85 JAK1 (0.49) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606917 0.84 SYK (0.51) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606971 0.83 JAK1 (0.50) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606955 0.81 JAK1 (0.49) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606881 0.81 IGF1R (0.53) JAK1JAK3SYKJAK2EGFR
SCHEMBL16606956 0.80 SYK (0.47) JAK1JAK3SYKJAK2EGFR

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-2015047124-A1 NOVEL CHEMICAL COMPOUNDS DERIVED FROM 2,4-DIAMINO-1,3,5-TRIAZINE FOR THE PROPHYLAXIS AND TREATMENT OF HUMAN AND ANIMAL DISEASES Общество с ограниченной ответственностью "Молекулярные Технологии" 2015-04-02 WO disclosed