SCHEMBL23625232

SCHEMBL23625232

COc1cc(N=S(C)(C)=O)ccc1Nc1ncc(C)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.51
JAK2 O60674 1/20 0.51
EGFR P00533 10/20 0.51
ALK Q9UM73 1/20 0.51
FLT3 P36888 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CDK7 P50613 4/20 0.45
CCNH P51946 4/20 0.45
MNAT1 P51948 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNK O75909 1/20 0.45
CDK9 P50750 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
JUN P05412 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
IGF1R P08069 2/20 0.44
KCNH2 Q12809 1/20 0.44

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 0.91 ALK (0.62) EGFRALKFLT3MKNK1MKNK2
SCHEMBL23625230 0.86 EGFR (0.54) JAK1JAK2EGFRALKFLT3
SCHEMBL23624959 0.84 EGFR (0.64) EGFRALKCDK7CCNHMNAT1
SCHEMBL23624957 0.83 EGFR (0.52) EGFRALKCDK7CCNHMNAT1
SCHEMBL23625086 0.83 EGFR (0.52) EGFRALKCDK7CCNHJUN
SCHEMBL23611850 0.82 CDK7 (0.54) JAK1JAK2EGFRCDK7CCNH
SCHEMBL23624999 0.81 JAK2 (0.45) JAK1JAK2
SCHEMBL23625229 0.81 ALK (0.52) JAK1JAK2EGFRALKFLT3
SCHEMBL23624963 0.81 EGFR (0.51) EGFRALKCDK7CCNHMNAT1
SCHEMBL23625027 0.78 JAK2 (0.58) JAK1JAK2EGFRFLT3CDK7

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