SCHEMBL29005446

SCHEMBL29005446

Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1NC(F)C(O)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ NFATC1 O95644 1/20 0.45
▸ 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 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ AR P10275 8/20 0.32
▸ LRRK2 Q5S007 2/20 0.31
▸ SLC6A4 P31645 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
SCHEMBL26180188 0.81 DYRK1A (0.49) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029067 0.80 GSK3B (0.46) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29364153 0.80 GSK3B (0.46) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29364627 0.80 DYRK1A (0.44) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25028691 0.80 DYRK1A (0.44) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29364759 0.78 DYRK1A (0.56) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029095 0.78 DYRK1A (0.56) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029340 0.77 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29365109 0.77 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25028640 0.76 DYRK1A (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996926-A Indole compounds as androgen receptor modulators 尼多生物科学有限公司 2023-04-21 — — CN disclosed
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