SCHEMBL13619057

SCHEMBL13619057

CNc1cncc(OC2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
IKBKB O14920 4/20 0.40
CHUK O15111 3/20 0.37
ROCK1 Q13464 4/20 0.37
LCK P06239 2/20 0.37
HRH1 P35367 2/20 0.37
PRKCZ Q05513 2/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
SYK P43405 2/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
KCNH2 Q12809 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
FYN P06241 1/20 0.34
ROCK2 O75116 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34

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
SCHEMBL15219253 0.80 IKBKB (0.42) PIM1PIM3PIM2IKBKBCHUK
SCHEMBL5585177 0.76 KDM4E (0.42) PIM1PIM3PIM2IKBKBCHUK
SCHEMBL30775218 0.76 CHRNB2 (0.41) PIM1CHUKROCK1PRKCZDYRK1A
SCHEMBL31080418 0.76 CHEK1 (0.40) PIM1PIM3PIM2IKBKBACVR1B
SCHEMBL11919289 0.76 PIM1 (0.40) PIM1PIM3PIM2IKBKBCHUK
SCHEMBL11916054 0.76 PIM1 (0.42) PIM1PIM3PIM2IKBKBCHUK
SCHEMBL31080802 0.75 IGF1R (0.43) PIM1PIM3PIM2IKBKBDYRK1A
SCHEMBL30775314 0.74 CHRM1 (0.40) PIM1CHUKROCK1PRKCZDYRK1A
SCHEMBL31080170 0.73 IGF1R (0.42) PIM1PIM3PIM2
SCHEMBL28527069 0.72 LPAR1 (0.34) PIM1PIM3PIM2KCNH2

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-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed