SCHEMBL29720684

SCHEMBL29720684

Cc1sc2c(O)nc(-c3ccccn3)nc2c1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GLA P06280 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ POLB P06746 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
SCHEMBL24128049 1.00 KDM4E (0.46) KDM4ETDP1NPC1RAB9AMAPT
SCHEMBL20665572 0.92 SMN1; SMN2 (0.44) KDM4ETDP1NPC1RAB9AMAPT
SCHEMBL20665326 0.90 PRKCI (0.45) KDM4ETDP1NPC1RAB9AMAPT
SCHEMBL26158139 0.89 KDM4E (0.46) KDM4ETDP1NPC1RAB9AMAPT
SCHEMBL20665245 0.88 MAPK14 (0.45) KDM4ETDP1MAPTKMT2AMETAP2
SCHEMBL20665738 0.88 KDM4E (0.45) KDM4ETDP1NPC1RAB9AMAPT
SCHEMBL20665561 0.87 CYP2A6 (0.45) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL29720493 0.86 KDM4E (0.44) KDM4ETDP1NPC1RAB9AMAPT
SCHEMBL24128053 0.86 KDM4E (0.44) KDM4ETDP1NPC1RAB9AMAPT
SCHEMBL20665742 0.83 KDM4E (0.45) KDM4ETDP1NPC1RAB9AMAPT

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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