SCHEMBL24920876

SCHEMBL24920876

COc1nc(-n2ncc(C)n2)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 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
SCHEMBL24920789 0.82 HCRTR2 (0.37) HCRTR1HCRTR2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL24921999 0.74 OGA (0.33) HCRTR1HCRTR2
SCHEMBL24922544 0.73 PIK3CA (0.36)
SCHEMBL24920813 0.73 PDK2 (0.37)
SCHEMBL24921149 0.71 ATM (0.36)
SCHEMBL24920786 0.71 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL24920837 0.71 ALKBH1 (0.34)
SCHEMBL24922002 0.70 MEN1 (0.30)
SCHEMBL24920767 0.70 ADORA2A (0.41) HCRTR1HCRTR2
SCHEMBL9977648 0.69 LMNA (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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