SCHEMBL29361305

SCHEMBL29361305

CC(=O)N1CCC(Oc2ncc(-c3c[nH]c4c(C#N)cccc34)nc2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.41
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ NFATC1 O95644 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CCNH P51946 2/20 0.37
▸ MNAT1 P51948 2/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ PIK3CD O00329 8/20 0.37
▸ PIK3CA P42336 7/20 0.37

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
SCHEMBL25029073 1.00 BTK (0.41) BTKCCNKCDK12CCNT1CCNE1
SCHEMBL29364621 0.90 BTK (0.43) BTKNFATC1GSK3BDYRK1ACYP11B1
SCHEMBL26717704 0.90 BTK (0.43) BTKNFATC1GSK3BDYRK1ACYP11B1
SCHEMBL25028882 0.90 BTK (0.43) BTKNFATC1GSK3BDYRK1ACYP11B1
SCHEMBL26719030 0.90 BTK (0.43) BTKNFATC1GSK3BDYRK1ACYP11B1
SCHEMBL25028656 0.88 NFATC1 (0.40) BTKCCNKCDK12CCNT1CCNE1
SCHEMBL29362053 0.88 BTK (0.44) BTKNFATC1GSK3BDYRK1ACYP11B1
SCHEMBL25029306 0.88 BTK (0.42) BTKNFATC1GSK3BDYRK1ACYP11B1
SCHEMBL29364633 0.88 NFATC1 (0.40) BTKCCNKCDK12CCNT1CCNE1
SCHEMBL25028902 0.88 BTK (0.44) BTKNFATC1GSK3BDYRK1ACYP11B1

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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