SCHEMBL30697146

SCHEMBL30697146

COC(=O)c1ncccc1Cn1nc(N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.46
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PARP1 P09874 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTGER1 P34995 7/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL30697074 0.83 MEN1 (0.58) GAAL3MBTL1CYP1A2SMN1; SMN2MEN1
SCHEMBL30697035 0.79 PTGER1 (0.56) CYP1A2PTGER1CYP2C19NPC1
SCHEMBL28759101 0.73 L3MBTL1 (0.55) MPOL3MBTL1PARP1CYP1A2KMT2A
SCHEMBL535668 0.73 L3MBTL1 (0.58) MPOL3MBTL1PARP1CYP1A2SMN1; SMN2
SCHEMBL29276672 0.72 GAA (0.52) GAARAB9APARP1CYP1A2SMN1; SMN2
SCHEMBL21678221 0.72 L3MBTL1 (0.54) MPOL3MBTL1PARP1CYP1A2KMT2A
SCHEMBL28677368 0.72 L3MBTL1 (0.57) MPOL3MBTL1PARP1CYP1A2MEN1
SCHEMBL3583563 0.71 PTGER1 (0.47) GAACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL17627029 0.71 PRMT5 (0.35) GAAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL25414723 0.70 L3MBTL1 (0.55) MPOL3MBTL1PARP1CYP1A2KDM4E

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
CN-119451961-A Carboxamide derivative with RSK inhibition effect, pharmaceutical composition containing carboxamide derivative and application of carboxamide derivative 广州科恩泰生物医药科技有限公司 2025-02-14 — — CN disclosed
CN-117186098-A Carboxamide derivative with RSK inhibition effect, pharmaceutical composition containing carboxamide derivative and application of carboxamide derivative 上海科恩泰生物医药科技有限公司 2023-12-08 — — CN disclosed
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