SCHEMBL14547925

SCHEMBL14547925

CC(C)Nc1nc(Nc2ccccc2)nc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.57
KCNH3 Q9ULD8 7/20 0.56
IRAK4 Q9NWZ3 1/20 0.56
PTK2 Q05397 3/20 0.48
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
JAK1 P23458 1/20 0.47
CTSK P43235 1/20 0.47
TTK P33981 1/20 0.46
MAP4K1 Q92918 1/20 0.44

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
SCHEMBL14547770 0.85 PTK2 (0.53) PAK4PTK2TTBK1TTBK2TTK
SCHEMBL5119258 0.81 LRRK2 (0.65) PAK4PTK2TTBK1TTBK2TTK
SCHEMBL4920915 0.81 JAK2 (0.50) PAK4IRAK4PTK2JAK1TTK
SCHEMBL19010671 0.81 JAK2 (0.40) PAK4IRAK4PTK2JAK1TTK
SCHEMBL14287376 0.80 PTK2 (0.69) PAK4PTK2TTBK1TTBK2TTK
SCHEMBL14547712 0.80 SYK (0.64) PAK4IRAK4PTK2JAK1TTK
SCHEMBL22587420 0.77 ACP1 (0.64)
SCHEMBL28456343 0.76 TAAR1 (0.66) PAK4KCNH3IRAK4
SCHEMBL2052097 0.76 PTK2 (0.56) PAK4IRAK4PTK2JAK1TTK
SCHEMBL10169192 0.75 LRRK2 (0.44) PAK4PTK2TTK

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