SCHEMBL6587159

SCHEMBL6587159

Cc1[nH]nc(-c2cccc(NN(C=O)c3cccc(Cl)c3)c2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
CDK8 P49336 1/20 0.37
ROCK1 Q13464 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IKBKE Q14164 1/20 0.36
ATM Q13315 1/20 0.35
MAP2K7 O14733 2/20 0.33
KIT P10721 2/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
P2RX7 Q99572 1/20 0.32
PTDSS1 P48651 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 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
SCHEMBL6591727 0.90 MAP2K7 (0.38) PDGFRBAURKBMAP2K7KITPDGFRA
SCHEMBL6587748 0.86 GAA (0.36) MAP2K7KDRTP53AURKAMAPT
SCHEMBL6589079 0.85 MAP2K4 (0.35) MAP2K7KDRPDE5APDE1APDE1B
SCHEMBL6585177 0.84 MAP2K4 (0.35) AURKBMAP2K7KITPDE5APDE1A
SCHEMBL6592076 0.84 PDE5A (0.33) MAP2K7P2RX7PTDSS1PDE5APDE1A
SCHEMBL6591549 0.83 GAA (0.37) AURKBAURKAUSP2MAPTHSP90AA1
SCHEMBL6586649 0.82 KIF11 (0.38) CDK8ROCK1NTRK2AURKBCLK4
SCHEMBL6585445 0.82 MAP2K4 (0.35) CDK8ATMMAP2K7KITPDGFRA
SCHEMBL6588565 0.81 PDE5A (0.34) MAP2K7PDE5APDE1APDE1BPDE3B
SCHEMBL2947674 0.80 L3MBTL1 (0.47) MEN1KMT2ANPC1RAB9ALMNA

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 5 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-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO 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