SCHEMBL6588565

SCHEMBL6588565

Cc1ccccc1N(C=O)Nc1cccc(-c2n[nH]c(C)c2Br)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.34
PDE1A P54750 3/20 0.34
PDE1B Q01064 3/20 0.34
PDE3B Q13370 3/20 0.34
PDE1C Q14123 3/20 0.34
PDE3A Q14432 3/20 0.34
AURKA O14965 5/20 0.34
MAP2K7 O14733 2/20 0.34
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
CHEK1 O14757 1/20 0.31
FGFR1 P11362 1/20 0.31
NEK2 P51955 1/20 0.31
MAPK15 Q8TD08 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
IKBKB O14920 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
SCHEMBL6586014 0.90 PDE5A (0.33) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6592076 0.90 PDE5A (0.33) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6587707 0.87 TTK (0.35) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6587106 0.86 MAP2K7 (0.35) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6584853 0.85 KIT (0.34) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6591727 0.83 MAP2K7 (0.38) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6585177 0.82 MAP2K4 (0.35) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6587159 0.81 MET (0.37) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6591549 0.81 GAA (0.37) AURKACYP3A4CYP2C9CYP2C19
SCHEMBL6591159 0.81 TTK (0.35) PDE5APDE1APDE1BPDE3BPDE1C

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
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed