SCHEMBL15330658

SCHEMBL15330658

Cc1cccc2c(C=O)c(-c3ccccc3Cl)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
GSK3B P49841 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TNKS2 Q9H2K2 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALOX5 P09917 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39

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
SCHEMBL15330177 0.90 CDK5 (0.43) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15331976 0.90 CCNB2 (0.47) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15332972 0.88 CDK5 (0.46) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2557943 0.85 TNKS2 (0.42) KDM4ETNKS2ALOX5KMT2AMEN1
SCHEMBL2557662 0.84 ABCB1 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15330473 0.83 KMT2A (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15331095 0.83 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15331071 0.83 PARP1 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15330015 0.83 PARP1 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15329846 0.83 ALDH1A1 (0.52) KDM4EALOX5KMT2AMEN1ALDH1A1

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 5 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed