SCHEMBL13354594

SCHEMBL13354594

COC(=O)CCNc1ncc(C)nc1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TOP2A P11388 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PGK1 P00558 1/20 0.34
TMPRSS15 P98073 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LTA4H P09960 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1367730 0.87 LMNA (0.37) SMN1; SMN2LMNAKMT2ACYP11B1CYP11B2
SCHEMBL13354598 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNAKMT2AKDM4ETOP2A
SCHEMBL12146392 0.74 CCR4 (0.35) SMN1; SMN2LMNATMPRSS15
SCHEMBL34474068 0.72 KDM4E (0.32) SMN1; SMN2KMT2AKDM4EHPGDALDH1A1
SCHEMBL481978 0.72 PPARG (0.39) SMN1; SMN2LMNAKMT2AKDM4ETSHR
SCHEMBL12146610 0.71 LMNA (0.45) LMNAKMT2AHPGDALDH1A1MAPT
SCHEMBL12146484 0.71 VNN1 (0.46) KMT2AKDM4EHPGDALDH1A1MAPT
SCHEMBL16186772 0.70 CCR4 (0.34) PGK1TSHR
SCHEMBL15509174 0.69 HPGD (0.40) SMN1; SMN2KDM4ETLR7HPGDALDH1A1
SCHEMBL18697440 0.68 ELANE (0.40) LMNAKDM4ETSHRALDH1A1MAPT

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