SCHEMBL14547700

SCHEMBL14547700

CCOC(=O)c1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.53
▸ JAK3 P52333 11/20 0.52
▸ BTK Q06187 10/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LRRK2 Q5S007 2/20 0.49
▸ MERTK Q12866 1/20 0.48
▸ PDPK1 O15530 1/20 0.47
▸ PTK2 Q05397 2/20 0.47

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
SCHEMBL12085327 0.90 PAK4 (0.56) PAK4JAK3BTKIRAK4LRRK2
SCHEMBL13048678 0.86 HTR2A (0.52) JAK3BTKMEN1THRBRAB9A
SCHEMBL12085425 0.85 MERTK (0.66) PAK4JAK3BTKIRAK4LRRK2
SCHEMBL14547840 0.84 PAK4 (0.54) PAK4JAK3BTKIRAK4LRRK2
SCHEMBL12085429 0.84 PTK2 (0.64) PAK4JAK3BTKIRAK4MERTK
SCHEMBL14547888 0.84 SYK (0.62) PAK4JAK3BTKIRAK4LRRK2
SCHEMBL14547896 0.84 JAK3 (0.67) PAK4JAK3BTKIRAK4LRRK2
SCHEMBL12085376 0.83 JAK3 (0.61) PAK4JAK3BTKIRAK4LRRK2
SCHEMBL14547954 0.83 PTK2 (0.60) PAK4JAK3BTKIRAK4LRRK2
SCHEMBL14547927 0.82 JAK3 (0.55) PAK4JAK3BTKIRAK4LRRK2

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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