SCHEMBL1433490

SCHEMBL1433490

N#Cc1cccc(-n2ccc(N)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.55
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
NSD2 O96028 1/20 0.43
MAPT P10636 1/20 0.42
NOTUM Q6P988 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
C1S P09871 1/20 0.39

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
SCHEMBL3477067 0.78 DRD2 (0.53) GRM5DRD2DRD3NSD2MAPT
SCHEMBL17632724 0.74 GRM5 (0.62) GRM5DRD2DRD3NSD2MAPT
SCHEMBL1434069 0.74 FAAH (0.46) MAPTNOTUMC1S
SCHEMBL28226742 0.73 GRM5 (0.48) GRM5DRD2DRD3NSD2NOTUM
SCHEMBL27858736 0.73 GRM5 (0.48) GRM5DRD2DRD3NOTUM
SCHEMBL28226586 0.73 GRM5 (0.48) GRM5DRD2DRD3
Hydrochloric Acid SCHEMBL25192250 0.73 GRM5 (0.60) GRM5DRD2DRD3NSD2MAPT
Hydrochloric Acid SCHEMBL31095460 0.73 GRM5 (0.60) GRM5DRD2DRD3NSD2MAPT
SCHEMBL1351786 0.72 COMT (0.48) MAPT
SCHEMBL5100840 0.71 GRM5 (1.00) GRM5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300457-A1 SUBSTITUTED PYRROLES AND METHODS OF USE Genentech, Inc. (US) 2011-03-30 EP disclosed