SCHEMBL29879205

SCHEMBL29879205

Cc1ccc2c(-c3cccc4c3CN(C(=O)OC(C)(C)C)C4=O)cnn2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.38
ELANE P08246 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
EPHB3 P54753 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PDK4 Q16654 1/20 0.33
CSNK2A1 P68400 2/20 0.33
CSNK2A2 P19784 1/20 0.33

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
SCHEMBL30129680 0.86 RET (0.35) RETELANESCN5ASCN9ACSNK2A1
SCHEMBL28848982 0.86 RET (0.35) RETELANESCN5ASCN9ACSNK2A1
SCHEMBL29878473 0.85 EPHB3 (0.38) RETELANEEPHB3
SCHEMBL31484050 0.75 PIK3CA (0.34) RET
SCHEMBL30701033 0.74 BUB1 (0.43) PIM1PIM2PARP1TNKS2PARP2
SCHEMBL31484164 0.74 MAPT (0.35) RET
SCHEMBL24001751 0.74 UCHL1 (0.45) ELANEPIM1PIM2PARP1TNKS2
SCHEMBL31330330 0.74 STS (0.40) PIM1PIM2PARP1TNKS2PARP2
SCHEMBL31484084 0.73 MAPT (0.34) RET
SCHEMBL31484108 0.73

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-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed
CN-114940683-B HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2023-01-17 CN disclosed
CN-114940683-A HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2022-08-26 CN disclosed