SCHEMBL27612834

SCHEMBL27612834

CCOc1ccc(Nc2ncc(F)c(Nc3cccc(OC)c3OC)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.68
AURKA O14965 7/20 0.61
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
GLO1 Q04760 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
SCHEMBL655110 0.82 SYK (1.00) SYKAURKA
SCHEMBL655513 0.81 SYK (0.78) SYKAURKA
SCHEMBL657143 0.81 SYK (0.78) SYKAURKA
SCHEMBL10228997 0.78 SYK (0.90) SYKAURKA
SCHEMBL15007350 0.76 SYK (0.67) SYKAURKA
SCHEMBL656111 0.76 SYK (0.76) SYKAURKA
SCHEMBL655971 0.76 SYK (1.00) SYKAURKA
SCHEMBL4460665 0.75 SYK (0.80) SYKAURKA
SCHEMBL1038636 0.75 SYK (0.54) SYKAURKAGLO1
SCHEMBL655352 0.75 AURKA (0.77) SYKAURKA

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed