Sugi Predict

Sugi Predict / Compounds / SCHEMBL5502237

SCHEMBL5502237

SCHEMBL5502237

CC[C@H](C)CC1(C[C@@H](C)CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C[C@@H](C)CC)(C[C@@H](C)CC)c3cc(-c5ccc6c(c5)C(C[C@@H](C)CC)(C[C@@H](C)CC)c5cc(Br)ccc5-6)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 19/20 0.40
▸ PTPRC P08575 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
SCHEMBL5499014 1.00 PDK2 (0.40) PDK2PTPRC
SCHEMBL5496894 1.00 PDK2 (0.40) PDK2PTPRC
SCHEMBL5502638 1.00 PDK2 (0.40) PDK2PTPRC
SCHEMBL5502914 0.95 PDK2 (0.43) PDK2PTPRC
SCHEMBL5653817 0.95 PDK2 (0.43) PDK2PTPRC
SCHEMBL19831170 0.87 PDK2 (0.35) PDK2PTPRC
SCHEMBL5504622 0.87 PDK2 (0.35) PDK2PTPRC
SCHEMBL5663793 0.86 — —
SCHEMBL4363141 0.85 APEX1 (0.35) PDK2
SCHEMBL5652512 0.84 PDK2 (0.41) PDK2PTPRC

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-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 — — EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 — — US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 — — EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 — — US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 — — WO disclosed