SCHEMBL27315133

SCHEMBL27315133

Nc1ncnn2c(C3CCCC3)cc(C(=O)O)c12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 6/20 0.45
▸ TNK2 Q07912 5/20 0.43
▸ CSNK2A2 P19784 5/20 0.43
▸ CSNK2A1 P68400 5/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ MTOR P42345 1/20 0.41
▸ RICTOR Q6R327 1/20 0.41
▸ RPTOR Q8N122 1/20 0.41
▸ MAPKAP1 Q9BPZ7 1/20 0.41
▸ MLST8 Q9BVC4 1/20 0.41
▸ AXL P30530 2/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 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
SCHEMBL27315088 0.85 CSNK2A2 (0.43) ACVRL1TNK2CSNK2A2CSNK2A1PIK3CD
SCHEMBL29927041 0.80 RIPK1 (0.47) TNK2CSNK2A2CSNK2A1
SCHEMBL27315078 0.79 ACVRL1 (0.47) ACVRL1TNK2PIK3CD
SCHEMBL27315079 0.78 ACVRL1 (0.46) ACVRL1TNK2PIK3CDMTORRICTOR
SCHEMBL10105828 0.77 ACVRL1 (0.39) ACVRL1TNK2CSNK2A2CSNK2A1PIK3CD
SCHEMBL27315264 0.75 AXL (0.48) CSNK2A2CSNK2A1AXLTYRO3MERTK
SCHEMBL27315261 0.75 RET (0.47) CSNK2A2CSNK2A1AXLTYRO3MERTK
SCHEMBL14651915 0.75 NTRK1 (0.38) ACVRL1TNK2CSNK2A2CSNK2A1PIK3CD
SCHEMBL12283438 0.75 NTRK1 (0.38) ACVRL1TNK2CSNK2A2CSNK2A1PIK3CD
SCHEMBL27315239 0.74 RET (0.51) AXLTYRO3MERTK

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
EP-4611900-A1 RET-LDD PROTEIN INHIBITORS Bristol-Myers Squibb Company (US) 2025-09-10 — — EP disclosed
WO-2024097980-A1 RET-LDD PROTEIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
WO-2024097980-A1 RET-LDD PROTEIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
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