SCHEMBL5726319

SCHEMBL5726319

Nc1nc([S])ncc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HSP90AB1 P08238 3/20 0.44
HSP90AA1 P07900 2/20 0.44
DHFR P00374 2/20 0.42
DPP4 P27487 4/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
MGAM O43451 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CLK1 P49759 3/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL1388588 0.83 DHFR (0.59) LMNAHSP90AB1HSP90AA1DHFRDPP4
SCHEMBL5726328 0.81 HSP90AB1 (0.44) LMNAHSP90AB1HSP90AA1DHFRDPP4
SCHEMBL5727729 0.80 FGFR1 (0.41) HSP90AB1HSP90AA1DHFRDPP4KDM4E
SCHEMBL6049514 0.77 KDM4E (0.52) LMNAHSP90AB1HSP90AA1DHFRDPP4
SCHEMBL14237507 0.74 HSP90AA1 (0.50) LMNAHSP90AB1HSP90AA1DPP4KDM4E
SCHEMBL6049482 0.74 KCNK2 (0.57) LMNADPP4KDM4ERAB9AALDH1A1
SCHEMBL6049452 0.73 HSP90AB1 (0.50) LMNAHSP90AB1HSP90AA1DHFRDPP4
SCHEMBL5070764 0.71 KCNK2 (0.74) POLB
SCHEMBL4196232 0.70 DHFR (0.61) DHFRMAPT
SCHEMBL29624840 0.70 AHR (0.64) HSP90AB1HSP90AA1KDM4ERAB9AMGAM

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
EP-1395568-B1 4-AMINOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-02 EP claimed