SCHEMBL23957446

SCHEMBL23957446

CCCN(C)c1ccc2ncc(-c3ccc(C=N)c(NC)c3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
MKNK1 Q9BUB5 6/20 0.39
FYN P06241 12/20 0.39
CCNT1 O60563 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK9 P50750 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
ABL1 P00519 1/20 0.38
PGK1 P00558 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
CCNB1 P14635 1/20 0.38
CSNK1E P49674 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
JAK3 P52333 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
SCHEMBL23931896 0.74 FYN (0.56) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL23932078 0.73 CCNT1 (0.54) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL23932068 0.73 CDK5 (0.65) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL23932106 0.73 NTRK1 (0.45) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL23932223 0.72 CCNT1 (0.50) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL23931991 0.72 NTRK1 (0.44) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL23931847 0.71 NTRK1 (0.43) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL23931927 0.69 GSK3B (0.42) NTRK1NTRK3NTRK2MKNK1FYN
SCHEMBL16023624 0.68 MKNK1 (0.39) NTRK1NTRK3NTRK2MKNK1
SCHEMBL15254231 0.68 NTRK1 (0.50) NTRK1NTRK3NTRK2MKNK1FYN

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-2021216757-A1 RNA-BINDING PROTEIN MULTIMERIZATION INHIBITORS AND METHODS OF USE THEREOF THE UAB RESEARCH FOUNDATION (US) 2021-10-28 WO disclosed