SCHEMBL21908730

SCHEMBL21908730

CNc1nccc(-c2cccnc2Oc2ccc(N)c(P)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.53
AURKB Q96GD4 15/20 0.52
AURKA O14965 11/20 0.52
TPX2 Q9ULW0 7/20 0.52
KDR P35968 6/20 0.48
LCK P06239 4/20 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
SCHEMBL580385 0.84 TEK (0.60) TEKAURKBAURKATPX2KDR
SCHEMBL580264 0.81 TEK (0.55) TEKAURKBAURKATPX2KDR
SCHEMBL21908896 0.80 TEK (0.55) TEKAURKBAURKATPX2KDR
SCHEMBL581360 0.79 TEK (0.60) TEKAURKBAURKATPX2KDR
SCHEMBL581511 0.79 TEK (0.60) TEKAURKBAURKATPX2KDR
SCHEMBL5261884 0.77 AURKB (0.63) TEKAURKBAURKATPX2KDR
SCHEMBL581144 0.76 TEK (0.55) TEKAURKBAURKATPX2KDR
SCHEMBL974857 0.76 AURKB (0.64) TEKAURKBAURKATPX2KDR
SCHEMBL1264679 0.76 TEK (0.64) TEKAURKBAURKATPX2KDR
SCHEMBL1265702 0.75 AURKB (0.68) TEKAURKBAURKATPX2KDR

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-2020056089-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-03-19 WO disclosed