SCHEMBL30175313

SCHEMBL30175313

C[C@@H](N[S@@+]([O-])C(C)(C)C)c1ccc(-n2cc(F)cn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 19/20 0.38
JAK2 O60674 2/20 0.36
FLT3 P36888 2/20 0.36
KIF5B P33176 1/20 0.36
KDR P35968 1/20 0.36
CCDC6 Q16204 1/20 0.36
EGLN1 Q9GZT9 1/20 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
SCHEMBL29696063 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL28722963 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL29521133 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL23929889 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL18806642 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL23957787 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL17966632 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL18821888 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL17966631 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR
SCHEMBL26597577 1.00 RET (0.38) RETJAK2FLT3KIF5BKDR

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
CN-113135896-B Methylpyrazole derivatives as RET inhibitors 正大天晴药业集团股份有限公司 2024-12-06 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-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