SCHEMBL6587712

SCHEMBL6587712

N#Cc1cc(Nc2cccc(-c3n[nH]cc3CBr)c2)ccc1C([NH])=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SYK P43405 1/20 0.32
LRRK2 Q5S007 1/20 0.32
EGFR P00533 2/20 0.31
NTRK1 P04629 2/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3B Q13370 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
SCHEMBL6592078 0.85 MAPK14 (0.36) MAPK8EGFRNTRK1PDE5APDE1A
SCHEMBL6588569 0.85 JAK3 (0.34) TTKMAPK8NTRK1PDE5APDE1A
SCHEMBL6586018 0.85 NTRK1 (0.34) TTKMAPK8NTRK1PDE5APDE1A
SCHEMBL6584858 0.82 KCNK3 (0.35) SYKNTRK1PDE5APDE1APDE1B
SCHEMBL6587108 0.82 TRPV1 (0.34) MAPTMEN1KMT2ALRRK2ALDH1A1
SCHEMBL2952931 0.74 L3MBTL1 (0.49) TTKMAPK8MEN1KMT2AEGFR
SCHEMBL6587164 0.73 MAPK8 (0.39) MAPK8BTK
SCHEMBL6591729 0.73 DHODH (0.33) TTKMAPK8SYK
SCHEMBL6587750 0.72 CDC25B (0.36) MAPK8EGFRKDM4EGAA
SCHEMBL6589267 0.71 NTRK1 (0.37) EGFRNTRK1CDK1

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