Sugi Predict

Sugi Predict / Compounds / SCHEMBL22762164

SCHEMBL22762164

SCHEMBL22762164

c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccc6oc7cc(-n8c9cc%10ccccc%10cc9c9ccc%10ccccc%10c98)ccc7c6c5c4)n3)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 4/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ UTRN P46939 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
SCHEMBL22767118 0.91 PDPK1 (0.33) PDPK1CYP1A1CYP1B1
SCHEMBL22762477 0.91 PDPK1 (0.33) PDPK1CYP1A1CYP1B1
SCHEMBL22766998 0.91 CYP1A2 (0.33) PDPK1CYP1A1
SCHEMBL22762444 0.91 PDPK1 (0.32) PDPK1CYP1A1
SCHEMBL22766997 0.88 PDPK1 (0.33) PDPK1CYP1A1
SCHEMBL22762407 0.88 CYP1A1 (0.32) CYP1A1CYP1B1UTRN
SCHEMBL22762279 0.87 — —
SCHEMBL24223602 0.87 ALDH1A1 (0.32) PDPK1
SCHEMBL24223757 0.86 PDPK1 (0.33) PDPK1
SCHEMBL22767002 0.86 ALDH1A1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020246835-A9 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
WO-2020246835-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-12-10 — — WO disclosed