SCHEMBL25649398

SCHEMBL25649398

Cc1ccc2[nH]nc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(C)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.46
▸ MAP2K4 P45985 8/20 0.42
▸ MAPK1 P28482 5/20 0.42
▸ MAPKAPK3 Q16644 5/20 0.42
▸ MAPK6 Q16659 5/20 0.42
▸ LCK P06239 1/20 0.42
▸ MAPKAPK2 P49137 4/20 0.42
▸ TTK P33981 1/20 0.42
▸ MAPKAPK5 Q8IW41 3/20 0.41
▸ CSNK1D P48730 1/20 0.40

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
SCHEMBL25649396 0.81 BTK (0.42) BTKLCK
SCHEMBL30063464 0.78 BTK (0.41) BTKLCK
SCHEMBL23816213 0.78 BTK (0.41) BTKLCK
SCHEMBL26114267 0.78 BTK (0.41) BTKLCK
SCHEMBL30063405 0.78 BTK (0.41) BTKLCK
SCHEMBL19876263 0.77 BTK (0.60) BTKLCK
SCHEMBL17645703 0.76 BTK (0.46) BTKLCK
SCHEMBL29124814 0.76 BTK (0.46) BTKLCK
SCHEMBL30063476 0.76 BTK (0.44) BTKLCK
SCHEMBL23816068 0.76 BTK (0.44) BTKLCK

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
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO disclosed
WO-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO disclosed
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