SCHEMBL24900752

SCHEMBL24900752

COc1cccc2c(-c3nc(Cl)ncc3F)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.50
NFATC1 O95644 1/20 0.50
GSK3B P49841 1/20 0.50
RPS6KA5 O75582 1/20 0.43
HTR2A P28223 1/20 0.42
CCNT1 O60563 2/20 0.41
CCNK O75909 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNH P51946 2/20 0.41
MNAT1 P51948 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL24900358 0.89 DYRK1A (0.53) DYRK1ANFATC1GSK3BRPS6KA5HTR2A
SCHEMBL30957550 0.89 DYRK1A (0.53) DYRK1ANFATC1GSK3BRPS6KA5HTR2A
SCHEMBL24900727 0.88 RPS6KA5 (0.56) DYRK1ANFATC1GSK3BRPS6KA5HTR2A
SCHEMBL24900454 0.86 CCNT1 (0.43) DYRK1ANFATC1GSK3BRPS6KA5CCNT1
SCHEMBL30957556 0.86 CCNT1 (0.43) DYRK1ANFATC1GSK3BRPS6KA5CCNT1
SCHEMBL30221346 0.85 DYRK1A (0.47) DYRK1ANFATC1GSK3BRPS6KA5CCNT1
SCHEMBL24900426 0.85 DYRK1A (0.47) DYRK1ANFATC1GSK3BRPS6KA5CCNT1
SCHEMBL30957452 0.85 RPS6KA5 (0.48) DYRK1ARPS6KA5CCNT1CCNKCCNE1
SCHEMBL24900631 0.85 RPS6KA5 (0.48) DYRK1ARPS6KA5CCNT1CCNKCCNE1
SCHEMBL24900677 0.84 CCNT1 (0.55) RPS6KA5HTR2ACCNT1CCNKCCNE1

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
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed