SCHEMBL6790254

SCHEMBL6790254

N#Cc1ccc2[nH]cc(Cl)c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
SLC6A4 P31645 9/20 0.45
HTR6 P50406 2/20 0.45
MAP3K14 Q99558 1/20 0.43
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL401146 0.86 DRD2 (0.49) IDO1DRD2DRD4DRD3SLC6A4
SCHEMBL6783710 0.81 IDO1 (0.49) IDO1SLC6A4HTR6MAP3K14HTR1A
SCHEMBL11976872 0.76 IDO1 (0.50) IDO1DRD2DRD4DRD3SLC6A4
SCHEMBL25009464 0.76 POLB (0.55) IDO1DRD2DRD4DRD3HTR6
SCHEMBL13323651 0.75 HTR6 (0.63) IDO1SLC6A4HTR6MAP3K14HTR1A
SCHEMBL28446100 0.75 CHUK (0.56)
SCHEMBL3574426 0.75 IMPDH2 (0.58) IDO1SLC6A4HTR6
SCHEMBL20846161 0.74 HTR6 (0.51) DRD2DRD4DRD3SLC6A4HTR6
SCHEMBL20846200 0.73 EGFR (0.50) DRD2DRD4DRD3SLC6A4HTR6
SCHEMBL22359655 0.73 SLC6A4 (0.49) IDO1SLC6A4HTR6MAP3K14HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809106-B1 ANTIPROLIFERATION AGENTS; SUCH AS 4-(2-METHOXYPHENOXY)-ANILINO-3-CHLORO-6,7-DIMETHOXYQUINOLINE ASTRAZENECA AB (SE) 2004-10-26 US disclosed
EP-1178966-B1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES ASTRAZENECA AB (SE) 2003-10-22 EP disclosed
EP-1178966-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES AstraZeneca AB (SE) 2002-02-13 EP disclosed
WO-2000068200-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES ASTRAZENECA AB (SE) 2000-11-16 WO disclosed