SCHEMBL30551259

SCHEMBL30551259

C[C@H]1CC=C(c2ccc3[nH]ncc3c2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.46
▸ RIPK2 O43353 1/20 0.40
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ROCK2 O75116 6/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.36
▸ STK17A Q9UEE5 2/20 0.36
▸ DYRK3 O43781 2/20 0.36
▸ CLK2 P49760 2/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CSNK1G1 Q9HCP0 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ BRD4 O60885 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
SCHEMBL25322160 1.00 PIK3CD (0.46) PIK3CDRIPK2CCNCCDK8ROCK2
SCHEMBL29477676 1.00 PIK3CD (0.46) PIK3CDRIPK2CCNCCDK8ROCK2
SCHEMBL24365179 1.00 PIK3CD (0.46) PIK3CDRIPK2CCNCCDK8ROCK2
SCHEMBL29477605 0.92 PIK3CD (0.41) PIK3CDRIPK2CDK8
SCHEMBL24365687 0.92 PIK3CD (0.41) PIK3CDRIPK2CDK8
SCHEMBL30551496 0.90 PIK3CD (0.42) PIK3CDRIPK2CCNCCDK8ROCK2
SCHEMBL25324334 0.88 PIK3CD (0.41) PIK3CDRIPK2CCNCCDK8ROCK2
SCHEMBL25324329 0.88 PIK3CD (0.41) PIK3CDRIPK2CCNCCDK8ROCK2
SCHEMBL29081206 0.85 NAMPT (0.42) PIK3CD
SCHEMBL29082053 0.84 C5AR1 (0.44) GSK3BCHRNA7

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-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 — — EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
Send feedback