SCHEMBL25259473

SCHEMBL25259473

Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1OC(CN)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ NFATC1 O95644 2/20 0.46
▸ CCNT1 O60563 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 5/20 0.33
▸ SLC6A4 P31645 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LRRK2 Q5S007 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
SCHEMBL29361278 0.87 DYRK1A (0.49) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029081 0.87 DYRK1A (0.49) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29361247 0.83 GSK3B (0.38) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29005532 0.82 DYRK1A (0.48) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29364249 0.81 DYRK1A (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029343 0.81 DYRK1A (0.50) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029329 0.81 DYRK1A (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29363474 0.81 DYRK1A (0.50) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25028767 0.81 DYRK1A (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL26180184 0.81 DYRK1A (0.50) GSK3BDYRK1ANFATC1CCNT1CCNK

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-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 — — WO disclosed
Send feedback