SCHEMBL2825199

SCHEMBL2825199

CCn1nc(C(=O)O)c(C(C)c2ccncc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
TRPV1 Q8NER1 2/20 0.37
BUB1 O43683 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4B Q07343 4/20 0.36
KDM4C Q9H3R0 1/20 0.36
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL2830985 0.95 KMT2A (0.38) ADRA2AADRA2BADRA2CADRA1ATRPV1
SCHEMBL2827049 0.90 KMT2A (0.39) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL2823459 0.85 KDM4C (0.38) PDE4BKDM4C
SCHEMBL2828862 0.84 KDM4C (0.38) MAPTMEN1KMT2APDE4BKDM4C
SCHEMBL2828338 0.82 SMN1; SMN2 (0.41) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL2825329 0.81 PDE4B (0.40) TRPV1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1996275 0.81 PDE4B (0.48) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL2829802 0.80 KMT2A (0.41) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2828825 0.80 KMT2A (0.40) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2826863 0.78 ALDH1A1 (0.36) MAPTL3MBTL1MEN1KMT2AKDM4E

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
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed