SCHEMBL19902102

SCHEMBL19902102

N#Cc1cccc(-n2cc(-c3ccccc3)cn2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.70
NOTUM Q6P988 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
AXL P30530 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALDH1A3 P47895 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CLK4 Q9HAZ1 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
SCHEMBL19928288 0.83 GRM5 (0.50) GRM5NOTUMGABRA1GABRG2GABRB3
SCHEMBL5216403 0.83 GRM5 (0.74) GRM5NOTUMAXLCHRNB2CHRNA5
SCHEMBL3922456 0.82 GRM5 (1.00) GRM5IRAK4
SCHEMBL30795243 0.82 GRM5 (1.00) GRM5IRAK4
SCHEMBL3921645 0.79 GRM5 (0.58) GRM5NOTUMIRAK4DRD2DRD3
SCHEMBL515503 0.79 GAA (0.59) MEN1NPC1RAB9AKMT2A
SCHEMBL3929004 0.79 GRM5 (0.76) GRM5NOTUMAXLCHRNB2CHRNA5
SCHEMBL5220524 0.79 GRM5 (0.68) GRM5NOTUMAXL
SCHEMBL5216877 0.78 GRM5 (0.67) GRM5NOTUMIRAK4AXL
SCHEMBL5215750 0.78 GRM5 (0.63) GRM5NOTUMAXLCHRNB2CHRNA5

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
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 US disclosed