SCHEMBL6590772

SCHEMBL6590772

Cc1[nH]nc(-c2cccc(NN(C=O)Cc3ccc(F)cc3)c2)c1Br

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.33
MAP2K7 O14733 5/20 0.33
KIT P10721 2/20 0.33
HAO2 Q9NYQ3 1/20 0.33
CSNK1D P48730 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
AURKA O14965 2/20 0.32
AURKB Q96GD4 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
SCHEMBL6586551 0.91 AURKA (0.36) MAP2K4MAP2K7AURKA
SCHEMBL6589050 0.89 HSP90AA1 (0.35) MAP2K4PTGDR2GAAAURKAAURKB
SCHEMBL6588992 0.85 SMN1; SMN2 (0.36) GAA
SCHEMBL6591159 0.83 TTK (0.35) MAP2K7AURKA
SCHEMBL6586587 0.83 BRAF (0.35) GAA
SCHEMBL6585177 0.83 MAP2K4 (0.35) MAP2K4MAP2K7KITHAO2AURKA
SCHEMBL2958214 0.80 L3MBTL1 (0.47) CSNK1D
SCHEMBL6586575 0.79 MAPT (0.35) MAP2K4GAAAURKAAURKB
SCHEMBL6586014 0.76 PDE5A (0.33) MAP2K4MAP2K7AURKA
SCHEMBL6591221 0.75 SMN1; SMN2 (0.54) GAA

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