SCHEMBL3794591

SCHEMBL3794591

COc1ccc(Cc2ccc(NC(=O)C3CCN3)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
ABL1 P00519 2/20 0.38
PDE4B Q07343 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
GID4 Q8IVV7 1/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
FGFR3 P22607 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL3797555 1.00 PDE4D (0.38) PDE4DABL1PDE4BSMN1; SMN2USP2
SCHEMBL3796371 1.00 PDE4D (0.38) PDE4DABL1PDE4BSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL3792955 0.99 PDE4D (0.38) PDE4DABL1PDE4BSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL3790310 0.99 PDE4D (0.38) PDE4DABL1PDE4BSMN1; SMN2USP2
SCHEMBL3796900 0.96 GID4 (0.41) PDE4DABL1PDE4BSMN1; SMN2USP2
SCHEMBL3467149 0.86 PDE4D (0.43) PDE4DPDE4BSMN1; SMN2LMNARAB9A
SCHEMBL7904591 0.85 PDE4D (0.51) PDE4DPDE4BSMN1; SMN2LMNARAB9A
SCHEMBL8031130 0.83 MAPK1 (0.42) PDE4DABL1MEN1KMT2A
SCHEMBL11996275 0.82 PDE4D (0.40) PDE4DSMN1; SMN2RAB9ANPC1TP53
SCHEMBL4323934 0.82 CYP1A2 (0.45) PDE4DSMN1; SMN2RAB9ANPC1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed