SCHEMBL6587750

SCHEMBL6587750

COc1cc(C([NH])=O)ccc1Nc1cccc(-c2n[nH]cc2CBr)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.36
BRAF P15056 2/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
EGFR P00533 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
ROCK2 O75116 10/20 0.34
ROCK1 Q13464 10/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6587164 0.86 MAPK8 (0.39) BRAFMAPK8MAPK10MAPK14AKR1C3
SCHEMBL6588569 0.78 JAK3 (0.34) MAPK8
SCHEMBL2959064 0.77 L3MBTL1 (0.48) CDC25BBRAFEGFRKDM4ESMN1; SMN2
SCHEMBL6586018 0.74 NTRK1 (0.34) MAPK8
SCHEMBL6592078 0.74 MAPK14 (0.36) BRAFMAPK8MAPK10MAPK14EGFR
SCHEMBL6588758 0.73 SMN1; SMN2 (0.58) ROCK2ROCK1KDM4ESMN1; SMN2
SCHEMBL6196074 0.73 HTR2A (0.50)
SCHEMBL6584858 0.73 KCNK3 (0.35) BRAFRXFP1
SCHEMBL6587712 0.72 TTK (0.37) MAPK8EGFRGAAKDM4E

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