SCHEMBL27396952

SCHEMBL27396952

Cc1nc(C)c(-c2ccc([C@H](C)N)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.47
▸ S1PR1 P21453 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ COMT P21964 7/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ XIAP P98170 1/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ CIT O14578 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL16433937 0.86 S1PR1 (0.47) JAK2S1PR1CDK4CCNE1CDK2
SCHEMBL22130327 0.78 JAK2 (0.55) JAK2CDK4CCNE1CDK2COMT
SCHEMBL327670 0.77 ALOX5 (0.54) JAK2CDK4CCNE1CDK2COMT
SCHEMBL7813078 0.75 PTGS1 (0.42) JAK2S1PR1CDK4CCNE1CDK2
SCHEMBL2833977 0.75 PTGS1 (0.42) JAK2S1PR1CDK4CCNE1CDK2
SCHEMBL320589 0.74 PTGS2 (0.54) JAK2CDK4CCNE1CDK2COMT
SCHEMBL12362816 0.74 ALOX5 (0.52) JAK2CDK4CCNE1CDK2COMT
SCHEMBL327283 0.74 PTGS1 (0.53) JAK2S1PR1CDK4CCNE1CDK2
SCHEMBL12943444 0.74 PTGS2 (0.53) JAK2CDK4CCNE1CDK2COMT
SCHEMBL92933 0.74 ALOX5 (0.66) JAK2CDK4CDK2COMTLMNA

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-2024137742-A1 COMPOUNDS AND COMPOSITIONS AS FGFR3 DEGRADERS AND USES THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-06-27 — — WO disclosed
WO-2024137742-A1 COMPOUNDS AND COMPOSITIONS AS FGFR3 DEGRADERS AND USES THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-06-27 — — WO disclosed
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