SCHEMBL5506315

SCHEMBL5506315

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NC(N)=O)cc5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.61
PARP1 P09874 3/20 0.55
DHODH Q02127 1/20 0.55
AURKB Q96GD4 3/20 0.47
AURKA O14965 2/20 0.47
DRD3 P35462 4/20 0.46
DRD2 P14416 3/20 0.46
CDK2 P24941 1/20 0.46
PRKCZ Q05513 1/20 0.46
CHEK1 O14757 1/20 0.45
MAP4K4 O95819 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
PIM1 P11309 1/20 0.45
PHKG2 P15735 1/20 0.45
MARK3 P27448 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45

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
SCHEMBL5512568 0.94 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5511248 0.94 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5507824 0.93 GNRHR (0.62) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5508081 0.92 GNRHR (0.61) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5999615 0.92 GNRHR (0.61) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5506661 0.91 GNRHR (0.59) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5509921 0.91 GNRHR (0.61) GNRHRPARP1DHODH
SCHEMBL5510258 0.90 GNRHR (0.59) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5509545 0.90 GNRHR (0.59) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5502980 0.90 GNRHR (0.61) GNRHRPARP1DHODHDRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP disclosed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO disclosed