SCHEMBL25048744

SCHEMBL25048744

Clc1ncc2c(-c3ccn(Sc4ccccc4)n3)c[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.38
JAK2 O60674 2/20 0.35
CDK8 P49336 3/20 0.32
CDK1 P06493 3/20 0.32
CDC7 O00311 3/20 0.32
MAP4K4 O95819 3/20 0.32
PIM1 P11309 3/20 0.32
PRKACA P17612 3/20 0.32
CLK2 P49760 3/20 0.32
GSK3B P49841 3/20 0.32
CDK5 Q00535 3/20 0.32
DYRK1A Q13627 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32
CCNB2 O95067 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
DAPK3 O43293 2/20 0.32
CDK7 P50613 2/20 0.32
CDK9 P50750 2/20 0.32
PRKX P51817 2/20 0.32

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
SCHEMBL25048760 0.84 RPS6KA5 (0.38) RPS6KA5CDK8CDC7MAP4K4PIM1
SCHEMBL30941180 0.80 KDM4E (0.44) RPS6KA5JAK2CDC7PIM1PRKACA
SCHEMBL30940969 0.77 MAPT (0.44) RPS6KA5JAK2CDK1MAP4K4CLK2
SCHEMBL30941505 0.74 RPS6KA5 (0.36) RPS6KA5JAK2CDC7MAP4K4PIM1
SCHEMBL31618036 0.64 C1S (0.38) RPS6KA5JAK2CDK1PIM1PRKACA
SCHEMBL22518633 0.63 RPS6KA5 (0.45) RPS6KA5JAK2LRRK2DYRK1BAXL
SCHEMBL25049125 0.63 RPS6KA5 (0.41) RPS6KA5ROCK1DYRK1BCDK2SYK
SCHEMBL30941673 0.61 RPS6KA5 (0.42) RPS6KA5ROCK1DYRK1B
SCHEMBL14842412 0.60 AXL (0.47) RPS6KA5PIM1CDK9DYRK1BAXL
SCHEMBL18009669 0.60 RPS6KA5 (0.40) RPS6KA5DYRK1B

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 WO disclosed