SCHEMBL29951012

SCHEMBL29951012

CCCc1nn(-c2ncccn2)c(Cl)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
USP2 O75604 1/20 0.32
GLP1R P43220 1/20 0.32
CDK4 P11802 1/20 0.30
CCND1 P24385 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
SCHEMBL29955284 0.84 DHFR (0.38) PDE4APDE4BPDE4CPDE4DUSP2
SCHEMBL2561011 0.82 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL2562728 0.81 HTT (0.36) PDE4APDE4BPDE4CPDE4DGLP1R
SCHEMBL29956741 0.80 SMN1; SMN2 (0.45)
SCHEMBL29958073 0.79 SMN1; SMN2 (0.33) GLP1RCDK4CCND1
SCHEMBL15331163 0.78 SMN1; SMN2 (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL29952980 0.77 HTT (0.42)
SCHEMBL15330703 0.77 MAPT (0.40)
SCHEMBL20578685 0.77 NPSR1 (0.37) PDE4APDE4BPDE4CPDE4DCDK4
SCHEMBL15330211 0.77 KMT2A (0.47)

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