SCHEMBL6587164

SCHEMBL6587164

[NH]C(=O)c1ccc(Nc2cccc(-c3n[nH]cc3CBr)c2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.39
MAPK10 P53779 8/20 0.39
MAPK14 Q16539 8/20 0.39
BCL6 P41182 3/20 0.38
BCOR Q6W2J9 3/20 0.38
BRAF P15056 3/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
BTK Q06187 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL6591729 0.88 DHODH (0.33) MAPK8AKR1C3AKR1C2
SCHEMBL6587750 0.86 CDC25B (0.36) MAPK8MAPK10MAPK14BRAFAKR1C3
SCHEMBL6592078 0.82 MAPK14 (0.36) MAPK8MAPK10MAPK14BRAF
SCHEMBL6588569 0.78 JAK3 (0.34) MAPK8
SCHEMBL6587561 0.76 BCHE (0.51)
SCHEMBL6586018 0.76 NTRK1 (0.34) MAPK8
SCHEMBL2947675 0.75 L3MBTL1 (0.51) MAPK8MAPK10MAPK14BCL6BCOR
SCHEMBL6587712 0.73 TTK (0.37) MAPK8BTK
SCHEMBL6585342 0.73 NR2E3 (0.52)
SCHEMBL6590589 0.73 ALDH1A1 (0.40) MAPK8

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