SCHEMBL29363648

SCHEMBL29363648

Cc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.52
▸ DYRK1A Q13627 2/20 0.52
▸ NFATC1 O95644 1/20 0.52
▸ AR P10275 9/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ CYP2C19 P33261 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ RET P07949 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ CCNT1 O60563 1/20 0.34

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
SCHEMBL25027634 1.00 GSK3B (0.52) GSK3BDYRK1ANFATC1AREIF2AK2
SCHEMBL25029164 0.89 DYRK1A (0.55) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL29364138 0.89 DYRK1A (0.55) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL25028830 0.88 DYRK1A (0.55) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL25028987 0.87 GSK3B (0.50) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL29361163 0.87 DYRK1A (0.50) GSK3BDYRK1ANFATC1ARMEN1
SCHEMBL25029034 0.87 DYRK1A (0.50) GSK3BDYRK1ANFATC1ARMEN1
SCHEMBL26716362 0.86 DYRK1A (0.49) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL29361365 0.85 GSK3B (0.50) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL25028651 0.85 GSK3B (0.50) GSK3BDYRK1ANFATC1ARSLC6A4

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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