SCHEMBL29239388

SCHEMBL29239388

COc1ccc([C@@H](C)N2CCCC2c2nc(NC(=O)C3CC3)ccc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ABL1 P00519 2/20 0.41
MEN1 O00255 1/20 0.41
JAK1 P23458 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.38
IKBKB O14920 1/20 0.38
RIPK2 O43353 1/20 0.38
JAK2 O60674 1/20 0.38
LCK P06239 1/20 0.38
TYK2 P29597 1/20 0.38
SYK P43405 1/20 0.38
GSK3B P49841 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2B Q14289 1/20 0.38

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
SCHEMBL30173043 1.00 KMT2A (0.41) KMT2AABL1MEN1JAK1ADORA3
SCHEMBL29239384 1.00 KMT2A (0.41) KMT2AABL1MEN1JAK1ADORA3
SCHEMBL29239385 1.00 KMT2A (0.41) KMT2AABL1MEN1JAK1ADORA3
SCHEMBL30865558 0.78 HSD11B1 (0.38)
SCHEMBL24992530 0.77 ADORA2B (0.46) KMT2AABL1MEN1ADORA3HPGD
SCHEMBL29239398 0.77 ADORA2B (0.46) KMT2AABL1MEN1ADORA3HPGD
SCHEMBL30173072 0.77 ADORA2B (0.46) KMT2AABL1MEN1ADORA3HPGD
SCHEMBL29086163 0.70 CHRM2 (0.37) KMT2AMEN1HTTMAPT
SCHEMBL29086164 0.70 CHRM2 (0.37) KMT2AMEN1HTTMAPT
SCHEMBL29086162 0.70 CHRM2 (0.37) KMT2AMEN1HTTMAPT

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
CN-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed