SCHEMBL25680871

SCHEMBL25680871

Cc1cnc(CN(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
APLNR P35414 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
NOS3 P29474 2/20 0.31
NOS2 P35228 2/20 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
SCHEMBL24655826 0.78 CHRNB2 (0.33) ALOX15MAPK1HTTCHRNB2CHRNA4
SCHEMBL12092560 0.78 POLB (0.41) ALOX15MAPK1HTTCHRNB2CHRNA4
SCHEMBL21789415 0.76 CYP2C19 (0.48) ALOX15MAPK1HTTCHRNB2CHRNA4
SCHEMBL19354675 0.74 CHRNB2 (0.41) ALOX15MAPK1HTTCHRNB2CHRNA4
SCHEMBL18648926 0.73 CCR1 (0.39) MAPK1APLNRCCR1CCR5CCR8
SCHEMBL9607519 0.72 CHRNB2 (0.33) CHRNB2CHRNA4ALDH1A1HRH3TSHR
SCHEMBL2937160 0.70
SCHEMBL13819890 0.70 CCR1 (0.33) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL13577890 0.70 CCR1 (0.44) CHRNB2CHRNA4CCR1CCR5CCR8
SCHEMBL16479887 0.69 GSR (0.38) SLC6A2SLC6A4SLC6A3

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
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed