SCHEMBL29364153

SCHEMBL29364153

COCC(COC)Nc1ncc(-c2c[nH]c3c(C#N)cccc23)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ NFATC1 O95644 2/20 0.46
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL25029067 1.00 GSK3B (0.46) GSK3BDYRK1ANFATC1MEN1KMT2A
SCHEMBL26180175 0.83 MAPK1 (0.32) LRRK2SOS1
SCHEMBL29005446 0.80 GSK3B (0.45) GSK3BDYRK1ANFATC1CDK2CCNT1
SCHEMBL26180188 0.80 DYRK1A (0.49) GSK3BDYRK1ANFATC1CDK2CCNT1
SCHEMBL29364483 0.80 MEN1 (0.49) GSK3BDYRK1ANFATC1MEN1KMT2A
SCHEMBL25029238 0.80 MEN1 (0.49) GSK3BDYRK1ANFATC1MEN1KMT2A
SCHEMBL26719362 0.79 GSK3B (0.49) GSK3BDYRK1ANFATC1MEN1KMT2A
SCHEMBL29365109 0.78 GSK3B (0.47) GSK3BDYRK1ANFATC1CDK2CCNT1
SCHEMBL25029340 0.78 GSK3B (0.47) GSK3BDYRK1ANFATC1CDK2CCNT1
SCHEMBL25028691 0.77 DYRK1A (0.44) GSK3BDYRK1ANFATC1MEN1KMT2A

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
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