SCHEMBL29626656

SCHEMBL29626656

N#Cc1cccc(-c2cn[nH]n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 1.00
METAP2 P50579 9/20 0.58
KEAP1 Q14145 1/20 0.55
CLK4 Q9HAZ1 1/20 0.53
SIRT3 Q9NTG7 1/20 0.49
XDH P47989 1/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA1 P14867 1/20 0.48

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
SCHEMBL28741857 1.00 IDO1 (1.00) IDO1METAP2KEAP1CLK4SIRT3
SCHEMBL28321674 0.80 IDO1 (0.66) IDO1METAP2KEAP1SIRT3
SCHEMBL28741785 0.79 IDO1 (0.65) IDO1METAP2KEAP1SIRT3
SCHEMBL171405 0.75 IDO1 (0.59) IDO1CLK4XDHGABRG2GABRB3
SCHEMBL31339117 0.75 IDO1 (0.59) IDO1CLK4XDHGABRG2GABRB3
SCHEMBL98912 0.75 IDO1 (0.59) IDO1CLK4XDHGABRG2GABRB3
SCHEMBL31173290 0.74 IDO1 (1.00) IDO1METAP2KEAP1SIRT3
SCHEMBL481943 0.74 IDO1 (1.00) IDO1METAP2KEAP1SIRT3
SCHEMBL13993856 0.74 METAP2 (1.00) IDO1METAP2KEAP1SIRT3
SCHEMBL4701290 0.73 GP6 (0.60) IDO1CLK4XDH

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
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed