SCHEMBL8151249

SCHEMBL8151249

COc1ccc2c(O)nc(OCC(F)(F)F)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ MPO P05164 1/20 0.38
▸ KDR P35968 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ HIPK4 Q8NE63 2/20 0.38
▸ SRPK1 Q96SB4 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ STK17A Q9UEE5 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ RET P07949 1/20 0.38
▸ ROS1 P08922 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FER P16591 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FGFR3 P22607 1/20 0.38

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
SCHEMBL8141768 0.85 PTGS1 (0.43) PTGS1PTGS2MPOKDRCLK2
SCHEMBL13727966 0.81 MPO (0.46) MPOHTR1AADRA1DADRA1AADRA1B
SCHEMBL17503754 0.74 KDM4C (0.41) MEN1KMT2AGSK3AGSK3BTSHR
SCHEMBL2174621 0.74 MPO (0.47) MPOKDM4EALDH1A1GLAGAA
SCHEMBL11472886 0.73 PRNP (0.51) PTGS1PTGS2ABCC8KCNJ11KDM4E
SCHEMBL2711168 0.73 NT5E (0.50) MPOKDRCLK2HIPK4SRPK1
SCHEMBL15483464 0.72 PTGS1 (0.38) PTGS1PTGS2HTR1AADRA1DADRA1A
SCHEMBL13728331 0.72 KMT2A (0.46) KDRCLK2HIPK4SRPK1CLK4
SCHEMBL13728145 0.71 MPO (0.44) MPOKDRDYRK1AKDM4EALDH1A1
SCHEMBL13975732 0.71 NPC1 (0.51) MPOKDM4EALDH1A1GAASMN1; SMN2

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-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed
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