SCHEMBL29566664

SCHEMBL29566664

COc1ccc2c(C#N)cnn2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CSNK2A1 P68400 2/20 0.41
▸ MAP2K1 Q02750 4/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPBWR1 P48145 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
Hydrochloric Acid SCHEMBL29971640 0.98 KDM4E (0.45) KDM4EALDH1A1GLAKMT2AF2
SCHEMBL30175335 0.84 RET (0.37) KDM4EALDH1A1GLAKMT2AF2
SCHEMBL29566683 0.83 RET (0.45) RET
SCHEMBL30175367 0.83 RET (0.48) RET
Hydrochloric Acid SCHEMBL28993707 0.82 RET (0.44) RET
SCHEMBL30175294 0.81 RET (0.43) KDM4EALDH1A1MAP2K1L3MBTL1RET
SCHEMBL31589870 0.81 KDM4E (0.40) KDM4EALDH1A1GLAKMT2AF2
SCHEMBL25252185 0.80 CDK2 (0.36) KDM4EALDH1A1GLASMN1; SMN2MAP2K1
SCHEMBL30175370 0.80 CDK2 (0.36) KDM4EALDH1A1GLASMN1; SMN2MAP2K1
SCHEMBL30175340 0.80 RET (0.43) RET

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163437-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2025-03-04 — — CN disclosed
CN-115605477-B Pyrazolo [1,5-a ] pyridine derivative, preparation method, composition and application thereof 深圳众格生物科技有限公司 2024-07-05 — — CN disclosed
CN-114380825-B Substituted pyrazole condensed ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-13 — — CN disclosed
CN-112771043-B Substituted pyrazole condensed ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2023-04-28 — — CN disclosed
CN-115605477-A Pyrazolo [1,5-a ] pyridine derivative and preparation method, composition and application thereof 深圳众格生物科技有限公司(CN) 2023-01-13 — — CN disclosed
CN-114380825-A Substituted pyrazole fused ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-04-22 — — CN disclosed
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