SCHEMBL31298294

SCHEMBL31298294

C#CCOCCOc1ccc2c(C#N)cnn2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 14/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ DRD3 P35462 2/20 0.35

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
SCHEMBL30175312 0.89 MAOA (0.35) RETDRD2DRD1DRD4HTR2A
SCHEMBL30175367 0.82 RET (0.48) RET
SCHEMBL30175349 0.81 CYP11B1 (0.41) RETDRD2DRD1DRD4HTR2A
SCHEMBL30175296 0.81 RET (0.45) RET
SCHEMBL30175294 0.81 RET (0.43) RETDRD2DRD1DRD4HTR2A
SCHEMBL30175370 0.80 CDK2 (0.36) RETDRD2DRD1DRD4HTR2A
SCHEMBL25252185 0.78 CDK2 (0.36) RETDRD2DRD1DRD4HTR2A
SCHEMBL29566683 0.78 RET (0.45) RET
Hydrochloric Acid SCHEMBL28993707 0.77 RET (0.44) RET
SCHEMBL31044800 0.76 HRH3 (0.47) RETDRD2DRD1DRD4HTR2A

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-113683610-B RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2025-02-25 — — CN disclosed
CN-113683611-B Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2025-02-11 — — CN disclosed
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