SCHEMBL15533263

SCHEMBL15533263

FC(F)(F)c1cnccc1Nc1nccc(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 10/20 0.64
DYRK1A Q13627 10/20 0.64
CLK4 Q9HAZ1 10/20 0.64
DYRK1B Q9Y463 9/20 0.64
CLK2 P49760 8/20 0.64
CLK3 P49761 3/20 0.55
CDK2 P24941 2/20 0.55
ULK1 O75385 5/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 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
SCHEMBL15533699 0.81 CCNB2 (0.43) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL15534400 0.80 CLK1 (0.65) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL15533704 0.78 ABL1 (0.47) DYRK1ACLK4CDK2ULK1KDM4E
SCHEMBL15533939 0.78 CLK1 (1.00) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL15534386 0.78 DYRK1A (0.68) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL15534551 0.78 CLK4 (0.74) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL15533935 0.76 CLK4 (0.68) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL16404646 0.74 CLK4 (0.81) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL3750394 0.73 CLK1 (0.62) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL3751635 0.72 CLK4 (0.71) CLK1DYRK1ACLK4DYRK1BCLK2

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