SCHEMBL29364398

SCHEMBL29364398

N#Cc1cccc2c(-c3cccc(OC4CCNC4)n3)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ SLC6A2 P23975 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ NFATC1 O95644 1/20 0.49
▸ CCNT1 O60563 1/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ TYK2 P29597 1/20 0.40
▸ NRAS P01111 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PIM1 P11309 6/20 0.38
▸ PIM3 Q86V86 6/20 0.38
▸ PIM2 Q9P1W9 6/20 0.38
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 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
SCHEMBL25029229 1.00 SLC6A4 (0.49) SLC6A4GSK3BDYRK1ASLC6A2KCNH2
SCHEMBL25028896 0.86 GSK3B (0.45) SLC6A4GSK3BDYRK1ASLC6A2KCNH2
SCHEMBL25029015 0.85 GSK3B (0.47) SLC6A4GSK3BDYRK1ANFATC1CCNT1
SCHEMBL29362012 0.85 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL26180176 0.85 GSK3B (0.47) GSK3BDYRK1ASLC6A2NFATC1CCNT1
SCHEMBL25029240 0.85 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29363716 0.83 SLC6A4 (0.48) SLC6A4GSK3BDYRK1ASLC6A2KCNH2
SCHEMBL25029029 0.83 SLC6A4 (0.48) SLC6A4GSK3BDYRK1ASLC6A2KCNH2
SCHEMBL29363798 0.83 CCNT1 (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029275 0.83 CCNT1 (0.47) 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
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