SCHEMBL23624952

SCHEMBL23624952

COc1c(N=S(C)(C)=O)cccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.53
ALK Q9UM73 1/20 0.51
CDK1 P06493 2/20 0.48
KDR P35968 2/20 0.48
IGF1R P08069 1/20 0.47
KCNH2 Q12809 1/20 0.47
CDK7 P50613 6/20 0.45
CCNH P51946 6/20 0.45
CCNK O75909 5/20 0.45
CDK12 Q9NYV4 5/20 0.45
MNAT1 P51948 5/20 0.45
CCNT1 O60563 4/20 0.45
CDK9 P50750 4/20 0.45
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45

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
SCHEMBL23624971 0.82 ALK (0.62) EGFRALKCDK1KDRIGF1R
SCHEMBL23624959 0.82 EGFR (0.64) EGFRALKCDK1KDRIGF1R
SCHEMBL23624995 0.79 EGFR (0.62) EGFRCDK1KDRIGF1RCDK7
SCHEMBL23624997 0.79 EGFR (0.62) EGFRCDK1KDRCDK7CCNH
SCHEMBL23625094 0.79 ALK (0.62) EGFRALKCDK1KDRIGF1R
SCHEMBL23624957 0.78 EGFR (0.52) EGFRALKCDK1KDRIGF1R
SCHEMBL23625086 0.78 EGFR (0.52) EGFRALKCDK1KDRIGF1R
SCHEMBL23625236 0.77 ALK (0.66) EGFRALKCDK1KDRIGF1R
SCHEMBL23625025 0.76 JAK2 (0.55) EGFRCDK1KDRCDK7CCNH
SCHEMBL23625001 0.74 EGFR (0.65) EGFRCDK1KDRIGF1RCDK7

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-2021138392-A1 AMINOPYRIMIDINE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2021-07-08 WO disclosed