SCHEMBL6589083

SCHEMBL6589083

Cc1[nH]nc(-c2cccc(NN(C=O)OC(C)(C)C)c2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 2/20 0.36
AURKA O14965 5/20 0.35
PDE5A O76074 2/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE1C Q14123 2/20 0.34
PDE3A Q14432 2/20 0.34
PDGFRA P16234 2/20 0.33
KDR P35968 2/20 0.33
BTK Q06187 2/20 0.33
ITK Q08881 2/20 0.33
TTK P33981 2/20 0.33
MAPK8 P45983 2/20 0.33
FGFR1 P11362 2/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
MAPK15 Q8TD08 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6587847 0.81 IKBKB (0.34) MAP2K7AURKAIKBKB
SCHEMBL2950810 0.79 ALDH1A1 (0.53) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6588565 0.77 PDE5A (0.34) MAP2K7AURKAPDE5APDE1APDE1B
SCHEMBL6591727 0.77 MAP2K7 (0.38) MAP2K7AURKAPDE5APDE1APDE1B
SCHEMBL6591549 0.76 GAA (0.37) AURKATTKMAPK8CYP3A4CYP2C9
SCHEMBL6585177 0.76 MAP2K4 (0.35) MAP2K7AURKAPDE5APDE1APDE1B
SCHEMBL6586551 0.76 AURKA (0.36) MAP2K7AURKAPDE5APDE1APDE1B
SCHEMBL6587748 0.76 GAA (0.36) MAP2K7AURKAKDRTTK
SCHEMBL6586649 0.76 KIF11 (0.38) MAP2K7PDGFRAKDRCHEK1CYP2C9
SCHEMBL6592076 0.75 PDE5A (0.33) MAP2K7AURKAPDE5APDE1APDE1B

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