SCHEMBL19061863

SCHEMBL19061863

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)ccn3)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.35
▸ TGFBR1 P36897 3/20 0.32
▸ PDK2 Q15119 3/20 0.32
▸ DUSP3 P51452 1/20 0.31
▸ MCL1 Q07820 1/20 0.30

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
SCHEMBL19061306 0.91 PDK2 (0.36) PDK2DUSP3
SCHEMBL19061516 0.90 PDK2 (0.34) PRKDCTGFBR1PDK2
SCHEMBL19061233 0.90 PDK2 (0.34) PRKDCPDK2
SCHEMBL19061336 0.89 PDK2 (0.36) PDK2DUSP3
SCHEMBL19061700 0.88 DUSP3 (0.34) PDK2DUSP3
SCHEMBL19061693 0.88 HSD17B1 (0.34) PDK2DUSP3
SCHEMBL19061308 0.87 PDK2 (0.36) PDK2DUSP3
SCHEMBL19061304 0.87 PDK2 (0.34) PDK2DUSP3
SCHEMBL19061861 0.85 KDM4E (0.36) PDK2DUSP3
SCHEMBL19061864 0.85 PDK2 (0.32) PDK2DUSP3

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-2017111389-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME 주식회사 두산 2017-06-29 — — WO disclosed
Send feedback