SCHEMBL29720471

SCHEMBL29720471

CO[C@H]1CC[C@@H](Nc2nc(-c3ccccn3)nc3sc(-c4ccn(C(C)C)n4)c(C)c23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 5/20 0.36
▸ MAPK14 Q16539 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ METAP1 P53582 2/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ HIF1A Q16665 2/20 0.31

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
SCHEMBL24127708 1.00 TRPM8 (0.36) TRPM8MAPK14LMNASMN1; SMN2KDM4E
SCHEMBL24128113 0.88 — —
SCHEMBL24128096 0.88 — —
SCHEMBL24128094 0.88 — —
SCHEMBL26038986 0.87 TRPM8 (0.32) TRPM8MAPK14LMNASMN1; SMN2KDM4E
SCHEMBL26038294 0.87 SYK (0.33) TRPM8MAPK14LMNASMN1; SMN2KDM4E
SCHEMBL24127725 0.83 GBA1 (0.31) GBA1
SCHEMBL24128087 0.83 GBA1 (0.31) GBA1
SCHEMBL25341251 0.82 LATS1 (0.32) —
SCHEMBL24128090 0.82 LATS1 (0.32) —

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
EP-4168414-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE Shy Therapeutics LLC (US) 2023-04-26 — — EP disclosed
WO-2021257828-A9 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2022-07-21 — — WO disclosed
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