SCHEMBL29956434

SCHEMBL29956434

COc1ncc(B(O)O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.38
ENPP2 Q13822 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 1/20 0.34
PIK3R1 P27986 5/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
MTOR P42345 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
SCHEMBL117586 1.00 PIK3CA (0.38) PIK3CAENPP2CA1CA2MAPT
SCHEMBL20605929 0.87 PIK3CA (0.37) PIK3CAENPP2CA1CA2MAPT
SCHEMBL14659133 0.82 SYK (0.31)
SCHEMBL3635036 0.79 ENPP2 (0.36) PIK3CAENPP2CA1CA2MAPT
SCHEMBL29955940 0.79 ENPP2 (0.36) PIK3CAENPP2CA1CA2MAPT
SCHEMBL24354976 0.79 ENPP2 (0.36) ENPP2CA1CA2MAPTKDR
SCHEMBL22066589 0.79 SYK (0.33)
SCHEMBL1811195 0.78 ENPP2 (0.40) PIK3CAENPP2CA1CA2MAPT
SCHEMBL29953456 0.78 ENPP2 (0.40) PIK3CAENPP2CA1CA2MAPT
SCHEMBL30788168 0.78 MAPT (0.49) PIK3CAENPP2CA1CA2MAPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed