Sugi Predict

Sugi Predict / Compounds / SCHEMBL22698394

SCHEMBL22698394

SCHEMBL22698394

c1ccc(-c2nc(-c3ccccc3)nc(-c3cncc4oc5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5c34)n2)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.31
▸ WEE1 P30291 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL22698448 0.95 PDK2 (0.33) PDK2WEE1MEN1MAPTKMT2A
SCHEMBL24795251 0.90 PDK2 (0.33) PDK2WEE1KDM4EMEN1LMNA
SCHEMBL24795433 0.89 PLA2G2A (0.34) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL24795421 0.89 PDK2 (0.34) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25023168 0.87 PDK2 (0.34) PDK2WEE1KDM4EMEN1LMNA
SCHEMBL24795268 0.87 MEN1 (0.32) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL27448406 0.85 KDM4E (0.36) PDK2WEE1KDM4EMEN1LMNA
SCHEMBL17252450 0.84 PDK2 (0.34) PDK2WEE1KDM4EMEN1LMNA
SCHEMBL22698273 0.84 PLA2G2A (0.38) WEE1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL24794308 0.84 MAPT (0.35) WEE1KDM4EMEN1LMNAMAPT

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-2019212287-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 (KR) 2020-11-26 — — WO disclosed