SCHEMBL7982902

SCHEMBL7982902

COc1cc2[nH]c(=O)c3cncn3c2cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.54
GRIN3B O60391 5/20 0.54
GRIN1 Q05586 5/20 0.54
GRIN2A Q12879 5/20 0.54
GRIN2B Q13224 5/20 0.54
GRIN2C Q14957 5/20 0.54
GRIN3A Q8TCU5 5/20 0.54
AXL P30530 1/20 0.40
LCK P06239 3/20 0.34
IMPDH2 P12268 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
GABRA5 P31644 2/20 0.32
GRIA1 P42261 1/20 0.32

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
SCHEMBL7986801 0.89 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29235288 0.82 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29235228 0.80 GRIA1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31026839 0.80 TP53 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7983698 0.80 TP53 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31353079 0.80 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31137380 0.76 GRIA1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31026868 0.76 GRIA1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7983014 0.76 GABRA5 (0.46) LCKKDM4EALDH1A1HPGDMEN1
SCHEMBL7970069 0.75 POLB (0.41) LCKIMPDH2KDM4EALDH1A1

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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed