SCHEMBL29362012

SCHEMBL29362012

N#Cc1cccc2c(-c3ccc(OC4CCNC4)c(Cl)n3)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.47
▸ DYRK1A Q13627 2/20 0.47
▸ NFATC1 O95644 1/20 0.47
▸ CCNT1 O60563 1/20 0.42
▸ CCNK O75909 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ MAP3K5 Q99683 1/20 0.41
▸ HTR2C P28335 5/20 0.38
▸ HTR2B P41595 5/20 0.38
▸ MAP2K1 Q02750 1/20 0.37
▸ PIM1 P11309 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ TBK1 Q9UHD2 3/20 0.36
▸ CHEK1 O14757 1/20 0.35

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
SCHEMBL25029240 1.00 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029015 0.89 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL26180176 0.89 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29363798 0.86 CCNT1 (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029275 0.86 CCNT1 (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029229 0.85 SLC6A4 (0.49) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29364398 0.85 SLC6A4 (0.49) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL26717234 0.84 NOS3 (0.48) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29364049 0.83 GSK3B (0.44) GSK3BDYRK1ACCNT1CCNKCCNE1
SCHEMBL25029333 0.83 GSK3B (0.44) GSK3BDYRK1ACCNT1CCNKCCNE1

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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