SCHEMBL23985263

SCHEMBL23985263

COc1ccc(CN2C(=O)c3cc(-c4ccc5ncnn5c4)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.37
JAK2 O60674 1/20 0.34
MAPT P10636 1/20 0.33
KIT P10721 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
SCN5A Q14524 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL23985259 0.87 MKNK2 (0.38) TNIKJAK2MAPTKITKDM4E
SCHEMBL30305429 0.84 TNIK (0.40) TNIKJAK2MAPTKDM4EHKDC1
SCHEMBL30305418 0.84 TNIK (0.40) TNIKJAK2MAPTKDM4EHKDC1
SCHEMBL30305407 0.84 JAK2 (0.42) TNIKJAK2MAPTKDM4EHKDC1
SCHEMBL23985262 0.84 TNIK (0.40) TNIKJAK2MAPTKDM4EHKDC1
SCHEMBL23985261 0.84 JAK2 (0.42) TNIKJAK2MAPTKDM4EHKDC1
SCHEMBL26712647 0.83 MAPT (0.39) MAPTKDM4EHKDC1
SCHEMBL23985903 0.81 NTRK1 (0.36)
SCHEMBL30305463 0.77 TNIK (0.39) TNIKJAK2MAPT
SCHEMBL23985120 0.77 TNIK (0.39) TNIKJAK2MAPT

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
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed