SCHEMBL26414376

SCHEMBL26414376

COCCOc1ccc(C)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 2/20 0.33
HTR7 P34969 1/20 0.33
PDE10A Q9Y233 2/20 0.32
CYP17A1 P05093 1/20 0.32
CRHR1 P34998 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL26414389 0.82 RECQL (0.33) PIK3CAPOLBTDP1RECQLLMNA
SCHEMBL23640025 0.81 TSHR (0.46) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL21585396 0.81 POLB (0.37) POLBTDP1RECQLLMNAPDE10A
SCHEMBL26087681 0.81 PIK3CA (0.41) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL15195563 0.80 PPIA (0.32) POLBTDP1RECQLHTR7
SCHEMBL13634443 0.79 TSHR (0.38) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL31587296 0.79 TSHR (0.40) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL1911864 0.78 POLB (0.52) TSHRPOLBTDP1RECQLALDH1A1
SCHEMBL13624091 0.78 TSHR (0.37) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL16931148 0.75 TSHR (0.44) TSHRPIK3CAPIK3CDPIK3CBPI4KA

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-2023072962-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-05-04 WO disclosed
EP-4169904-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-04-26 EP disclosed