SCHEMBL13354598

SCHEMBL13354598

COC(=O)CCNc1ncc(C)nc1NCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.35
TMPRSS15 P98073 1/20 0.35
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
TOP2A P11388 1/20 0.33
TLR7 Q9NYK1 3/20 0.32
PLAU P00749 2/20 0.32
PGK1 P00558 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CCR4 P51679 2/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
PRKCH P24723 1/20 0.32

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
SCHEMBL13354594 0.81 SMN1; SMN2 (0.40) SMN1; SMN2LMNATMPRSS15KDM4EKMT2A
SCHEMBL1367730 0.70 LMNA (0.37) SMN1; SMN2LMNATMPRSS15KMT2APGK1
SCHEMBL20844402 0.67 JAK3 (0.43)
SCHEMBL12146484 0.66 VNN1 (0.46) KDM4EKMT2AALDH1A1
SCHEMBL15509174 0.65 HPGD (0.40) SMN1; SMN2KDM4ETLR7PLAUALDH1A1
SCHEMBL12146610 0.64 LMNA (0.45) LMNAKMT2AALDH1A1
SCHEMBL14241563 0.63 SYK (0.44) SMN1; SMN2LMNAKDM4EKMT2APGK1
SCHEMBL9013550 0.62 NPC1 (0.50) SMN1; SMN2LMNAKDM4EKMT2ATOP2A
SCHEMBL28310632 0.61 STK17A (0.40) PRKD3PRKCIPRKD1
SCHEMBL21865595 0.61

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-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed