SCHEMBL4437616

SCHEMBL4437616

CC(C)Oc1ccc(Nc2ncc(Cl)c(NCC3CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.55
BRD4 O60885 1/20 0.49
STK17A Q9UEE5 7/20 0.49
STK17B O94768 5/20 0.49
TNK2 Q07912 6/20 0.47
CHEK1 O14757 1/20 0.47
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
TYK2 P29597 1/20 0.47
ALK Q9UM73 1/20 0.47
LRRK2 Q5S007 1/20 0.47
NTRK1 P04629 1/20 0.46
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44
AURKA O14965 1/20 0.43

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
Hydrochloric Acid SCHEMBL3149943 0.99 SYK (0.54) SYKBRD4STK17ASTK17BTNK2
SCHEMBL3814175 0.81 SYK (0.56) SYKBRD4ALKLRRK2
SCHEMBL24258127 0.79 TNK2 (0.55) STK17ASTK17BTNK2CHEK1JAK2
SCHEMBL21485123 0.78 IGF1R (0.49) STK17ASTK17BTNK2CHEK1JAK2
SCHEMBL26361454 0.76 TNK2 (0.54) SYKSTK17ASTK17BTNK2CHEK1
SCHEMBL24258144 0.74 IRAK1 (0.49) BRD4TNK2CHEK1JAK2ABL1
SCHEMBL18488173 0.74 TNK2 (0.75) SYKBRD4TNK2CHEK1JAK2
SCHEMBL24255222 0.72 TNK2 (0.75) SYKBRD4TNK2CHEK1JAK2
SCHEMBL655466 0.71 SYK (1.00) SYKSTK17AJAK2LCKROS1
SCHEMBL1935532 0.71 PRKCQ (0.54) STK17ASTK17BLRRK2NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 WO disclosed