SCHEMBL29953359

SCHEMBL29953359

Nc1cncc(B(O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.44
GRM4 Q14833 1/20 0.33
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL29953725 0.73
SCHEMBL1604498 0.73
SCHEMBL14797510 0.71 CDK2 (0.44) CDK2
SCHEMBL29956532 0.71 CYP11B1 (0.31)
Hydrochloric Acid SCHEMBL31108166 0.70
Hydrochloric Acid SCHEMBL31108165 0.70
SCHEMBL9779750 0.67
SCHEMBL25098503 0.67 IDH1 (0.32)
SCHEMBL12603204 0.67 CYP11B2 (0.36)
SCHEMBL29953848 0.67 CYP11B2 (0.36)

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