SCHEMBL3700191

SCHEMBL3700191

FC(F)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1NCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 6/20 0.53
STK17B O94768 4/20 0.53
JAK3 P52333 2/20 0.47
BTK Q06187 2/20 0.47
MAPT P10636 3/20 0.47
CHEK1 O14757 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAP3K8 P41279 2/20 0.46
EGFR P00533 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR2 P41597 1/20 0.45

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
SCHEMBL1916627 0.87 CHEK1 (0.61) STK17ASTK17BCHEK1
SCHEMBL3449758 0.81 STK17A (0.56) STK17ASTK17BMAPTCHEK1MAP3K8
SCHEMBL1917046 0.81 CHEK1 (0.61) STK17ASTK17BCHEK1MAP3K8EGFR
SCHEMBL1916143 0.78 STK17A (0.56) STK17ASTK17BCHEK1
SCHEMBL13310836 0.78 STK17A (0.52) STK17ASTK17BMAPTMAP3K8EGFR
SCHEMBL1919046 0.78 STK17A (0.52) STK17ASTK17BMAPTGSK3AGSK3B
SCHEMBL3284584 0.77 STK17A (0.55) STK17ASTK17BCHEK1
SCHEMBL1916744 0.77 BRD4 (0.55) STK17ASTK17BCHEK1
SCHEMBL1916754 0.76 STK17A (0.63) STK17ASTK17BCHEK1
SCHEMBL3447547 0.76 EGFR (0.58) STK17ASTK17BMAP3K8EGFRALDH1A1

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-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed