SCHEMBL30212243

SCHEMBL30212243

CC(C)c1ccc(Oc2ccc(-n3nccn3)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 15/20 0.38
MCHR1 Q99705 13/20 0.38
PTPN1 P18031 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
PANK3 Q9H999 1/20 0.36
FGFR2 P21802 1/20 0.34

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
SCHEMBL30212204 0.77 NOTUM (0.54) NPBWR1MCHR1PTPN1EGLN1
SCHEMBL20912238 0.75 EGLN1 (0.39) EGLN1
SCHEMBL24922678 0.74 NPBWR1 (0.37) NPBWR1MCHR1EGLN1FGFR2
SCHEMBL15849015 0.72 ALDH1A1 (0.48) PTPN1
SCHEMBL4366979 0.72 ALDH1A1 (0.48) PTPN1
SCHEMBL12261859 0.70 PTPN1 (0.39) NPBWR1MCHR1PTPN1FGFR2
SCHEMBL5018912 0.69 TDP1 (0.56)
SCHEMBL12261854 0.69 KDM4C (0.40) NPBWR1MCHR1PTPN1FGFR2
SCHEMBL24920613 0.68 ACACB (0.37)
SCHEMBL17572221 0.68 NPBWR1 (0.41) NPBWR1MCHR1PTPN1

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed