SCHEMBL6587707

SCHEMBL6587707

Cc1[nH]nc(-c2cccc(NN(C=O)c3ccccc3C#N)c2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.35
MAPK8 P45983 1/20 0.35
LRRK2 Q5S007 9/20 0.34
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
ATM Q13315 1/20 0.32
MAP2K7 O14733 2/20 0.32
AURKA O14965 5/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
CHUK O15111 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL6588565 0.87 PDE5A (0.34) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6592076 0.85 PDE5A (0.33) MAPK8PDE5APDE1APDE1BPDE3B
SCHEMBL6586014 0.85 PDE5A (0.33) LRRK2PDE5APDE1APDE1BPDE3B
SCHEMBL6585445 0.83 MAP2K4 (0.35) TTKMAPK8LRRK2ATMMAP2K7
SCHEMBL6587106 0.82 MAP2K7 (0.35) LRRK2PDE5APDE1APDE1BPDE3B
SCHEMBL2952928 0.81 L3MBTL1 (0.44) TTKMAPK8
SCHEMBL6584853 0.80 KIT (0.34) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6591727 0.79 MAP2K7 (0.38) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6585177 0.78 MAP2K4 (0.35) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6587159 0.77 MET (0.37) 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