SCHEMBL14547887

SCHEMBL14547887

FC(F)(F)c1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 4/20 0.60
▸ IRAK4 Q9NWZ3 1/20 0.59
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ ULK1 O75385 1/20 0.51
▸ JAK3 P52333 9/20 0.50
▸ BTK Q06187 7/20 0.50
▸ TTBK1 Q5TCY1 1/20 0.48
▸ TTBK2 Q6IQ55 1/20 0.48
▸ MERTK Q12866 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ LRRK2 Q5S007 1/20 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
SCHEMBL14547889 0.89 PAK4 (0.60) PAK4IRAK4JAK3BTKMERTK
SCHEMBL27930634 0.82 PAK4 (0.64) PAK4IRAK4JAK3BTK
SCHEMBL14547900 0.82 JAK3 (0.69) PAK4IRAK4JAK3BTK
SCHEMBL14547954 0.81 PTK2 (0.60) PAK4IRAK4JAK3BTKMERTK
SCHEMBL12085425 0.81 MERTK (0.66) PAK4IRAK4JAK3BTKMERTK
SCHEMBL12085429 0.81 PTK2 (0.64) PAK4IRAK4JAK3BTKMERTK
SCHEMBL12085351 0.81 PAK4 (0.58) PAK4IRAK4ULK1JAK3BTK
SCHEMBL12085463 0.80 CCNT1 (0.59) PAK4IRAK4JAK3BTKMERTK
SCHEMBL14547888 0.80 SYK (0.62) PAK4IRAK4JAK3BTKMERTK
SCHEMBL14670760 0.80 SYK (0.59) PAK4IRAK4JAK3BTK

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-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO disclosed
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