SCHEMBL7996037

SCHEMBL7996037

COc1ccc2c(N)cc(-n3ccc(C(C)C)n3)nc2c1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
PDPK1 O15530 2/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
FLT1 P17948 1/20 0.33
RPS6KA3 P51812 1/20 0.33
LRRK2 Q5S007 1/20 0.33
RAD52 P43351 1/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8008953 0.88 PDE10A (0.37) PDE10AALDH1A1
SCHEMBL8007978 0.88 G6PD (0.33) PDE10A
SCHEMBL313042 0.86 PDE10A (0.36) PDE10A
SCHEMBL7995997 0.81 PRMT6 (0.41) PDE10APDPK1DAPK3PRKD3FLT1
SCHEMBL585811 0.76 PDE10A (0.32) PDE10A
SCHEMBL2834386 0.76
SCHEMBL313186 0.74 CYP19A1 (0.32) PDE10A
SCHEMBL14864639 0.73 KDM4E (0.45) PDE10AALDH1A1
SCHEMBL11949921 0.73 PDE10A (0.36) PDE10AALDH1A1
SCHEMBL3658240 0.71 MAPT (0.42) RAD52ALDH1A1

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-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed