SCHEMBL3377783

SCHEMBL3377783

Cc1cn2cc(Cc3ccc(NC(N)=O)cc3)cc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.61
PDE4B Q07343 5/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
PLAU P00749 1/20 0.37
RORC P51449 1/20 0.37
THRB P10828 1/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
IKBKB O14920 1/20 0.36
F10 P00742 1/20 0.36
ADORA1 P30542 1/20 0.36
JAK2 O60674 1/20 0.36
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 1/20 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
SCHEMBL3380528 0.84 PDE4D (0.60) PDE4DPDE4BCYP3A4CYP2C19PLAU
SCHEMBL7905671 0.84 PDE4D (0.39) PDE4DPDE4BCYP3A4CYP2C19ADORA1
SCHEMBL3377711 0.79 KMT2A (0.40) PDE4DPDE4BCYP3A4CYP2C19MAPT
SCHEMBL3380818 0.79 PDE4D (0.40) PDE4DTHRBALDH1A1KMT2A
SCHEMBL3378478 0.79 DHFR (0.39) PDE4DMAPTADORA1KMT2A
SCHEMBL3378344 0.78 ABL1 (0.39) PDE4DALDH1A1F10ADORA1JAK2
SCHEMBL3378779 0.78 PIK3CD (0.39)
SCHEMBL3377566 0.78 DYRK3 (0.50) PDE4DALDH1A1MAPTADORA1GRM5
SCHEMBL3794806 0.77 PDE4D (0.72) PDE4DPDE4BCYP3A4CYP2C19PLAU
SCHEMBL3379763 0.77 TRPM8 (0.39) PDE4DPDE4BTHRBKMT2AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed