SCHEMBL14547697

SCHEMBL14547697

Cn1ncc2ccc(Nc3nc(NC4CCC4)c4cc[nH]c4n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.51
JAK3 P52333 13/20 0.51
BTK Q06187 10/20 0.51
IRAK4 Q9NWZ3 1/20 0.50
EML4 Q9HC35 1/20 0.47
ALK Q9UM73 1/20 0.47
TTK P33981 1/20 0.45
PIK3CB P42338 1/20 0.45
MAPK8 P45983 1/20 0.45
PTK2 Q05397 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
SCHEMBL14547762 0.82 CYP1A2 (0.42) PAK4JAK3BTKALKTTK
SCHEMBL18984923 0.81 BTK (0.70) PAK4JAK3BTKIRAK4PTK2
SCHEMBL12085351 0.81 PAK4 (0.58) PAK4JAK3BTKIRAK4TTK
SCHEMBL12085346 0.79 SYK (0.60) PAK4JAK3BTKIRAK4
SCHEMBL3280599 0.77 PTK2 (0.57) JAK3BTKTTKPTK2
SCHEMBL14547841 0.77 PAK4 (0.56) PAK4JAK3BTKIRAK4TTK
SCHEMBL3283548 0.77 LRRK2 (0.57) PAK4JAK3BTKEML4ALK
SCHEMBL12085405 0.77 ULK1 (0.56) PAK4JAK3BTKIRAK4
SCHEMBL12085274 0.76 PAK4 (0.55) PAK4JAK3BTKIRAK4TTK
SCHEMBL18984872 0.76 JAK3 (0.61) PAK4JAK3BTKIRAK4

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