SCHEMBL7902845

SCHEMBL7902845

CC1=CN2C=C(Cc3ccc(C(C)(C)O)nc3)C=C(c3cccc(Cl)c3)C2N1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.31
AVPR1B P47901 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL7915334 0.85 DHFR (0.32)
SCHEMBL7902988 0.85 GRIN1 (0.32) CNR1CNR2
SCHEMBL7902852 0.85 NPC1 (0.34) CNR2
SCHEMBL7914652 0.83 DYRK3 (0.37)
SCHEMBL7912990 0.82 PARP1 (0.37) PIM1
SCHEMBL7913253 0.80 MAOB (0.34)
SCHEMBL7913078 0.80 DYRK3 (0.37)
SCHEMBL7916997 0.80 JAK2 (0.35)
SCHEMBL7929296 0.80 DYRK3 (0.49) PIM1
SCHEMBL7911686 0.78 PGR (0.34)

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
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