SCHEMBL6055066

SCHEMBL6055066

COc1ccc(-c2n[nH]c3nc(C(C)(C)C)nc(N)c23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.46
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
PIK3CD O00329 2/20 0.43
ABL1 P00519 2/20 0.43
EGFR P00533 2/20 0.43
HCK P08631 2/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
MTOR P42345 2/20 0.43
PIK3CG P48736 2/20 0.43
EPHB4 P54760 2/20 0.43
PRKDC P78527 2/20 0.43
ACHE P22303 3/20 0.41

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
SCHEMBL7826933 0.80 IKBKB (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL149180 0.80 PIK3CD (0.55) KDM4EHSD17B10ALDH1A1PDE4APDE4B
SCHEMBL5748863 0.79 MEN1 (0.42) KDM4EALDH1A1PIK3CDABL1EGFR
SCHEMBL1270136 0.78 CNR1 (0.44) ABL1EGFRHCKSRCKDR
SCHEMBL7515835 0.78 CLK4 (0.42) KDM4EHSD17B10ALDH1A1ABL1SRC
SCHEMBL16665685 0.72 PIK3CD (0.67) KDM4EALDH1A1PIK3CDABL1EGFR
SCHEMBL16654934 0.72 KDM4E (0.41) KDM4EHSD17B10ALDH1A1PDE4APDE4B
SCHEMBL14280073 0.70 PDE4A (0.51) KDM4EHSD17B10ALDH1A1PDE4APDE4B
SCHEMBL19414295 0.69 SRC (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL11306 0.69 SRC (0.47) KDM4EALDH1A1PIK3CDABL1EGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482983-A4 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RES DEV CO (IL) 2006-07-12 EP claimed
EP-1482983-A2 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-12-08 EP claimed
WO-2003065971-A9 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RES DEV CO (IL) 2003-11-20 WO claimed
WO-2003065971-A2 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-08-14 WO claimed
WO-2003065971-A9 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RES DEV CO (IL) 2003-11-20 WO disclosed