SCHEMBL15533935

SCHEMBL15533935

FC(F)(F)c1cccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.68
CLK1 P49759 11/20 0.68
DYRK1A Q13627 11/20 0.68
DYRK1B Q9Y463 10/20 0.68
CLK2 P49760 9/20 0.68
KDM4E B2RXH2 3/20 0.51
CLK3 P49761 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CDK2 P24941 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL15534551 0.83 CLK4 (0.74) CLK4CLK1DYRK1ADYRK1BCLK2
SCHEMBL15534426 0.82 TRPV1 (0.51) CLK4CLK1DYRK1ADYRK1BCLK2
SCHEMBL15534293 0.81 SYK (0.49) CLK4CLK1DYRK1ADYRK1BCLK2
SCHEMBL15534386 0.81 DYRK1A (0.68) CLK4CLK1DYRK1ADYRK1BCLK2
SCHEMBL15533939 0.81 CLK1 (1.00) CLK4CLK1DYRK1ADYRK1BCLK2
SCHEMBL27115516 0.80 SYK (0.48) SYK
SCHEMBL15534400 0.79 CLK1 (0.65) CLK4CLK1DYRK1ADYRK1BCLK2
SCHEMBL15533965 0.77 SYK (0.51) CLK4DYRK1AKDM4ENPC1RAB9A
SCHEMBL27115517 0.76 SYK (0.47) NPC1RAB9ACDK2MEN1KMT2A
SCHEMBL15533263 0.76 CLK1 (0.64) CLK4CLK1DYRK1ADYRK1BCLK2

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
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed