SCHEMBL23624971

SCHEMBL23624971

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.62
EGFR P00533 11/20 0.61
IGF1R P08069 1/20 0.54
KCNH2 Q12809 1/20 0.54
FLT3 P36888 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
CDK1 P06493 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 4/20 0.47
MAPK9 P45984 4/20 0.47
MAPK10 P53779 2/20 0.47
CDK2 P24941 4/20 0.46
JUN P05412 3/20 0.46
CCNK O75909 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
CCNT1 O60563 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK9 P50750 1/20 0.46
CDK7 P50613 1/20 0.46

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
SCHEMBL23624959 0.93 EGFR (0.64) ALKEGFRIGF1RKCNH2CDK1
SCHEMBL23625086 0.92 EGFR (0.52) ALKEGFRIGF1RKCNH2CDK1
SCHEMBL23624957 0.92 EGFR (0.52) ALKEGFRIGF1RKCNH2CDK1
SCHEMBL23625232 0.91 JAK1 (0.51) ALKEGFRIGF1RKCNH2FLT3
SCHEMBL23624963 0.90 EGFR (0.51) ALKEGFRIGF1RKCNH2CDK1
SCHEMBL23625094 0.87 ALK (0.62) ALKEGFRIGF1RKCNH2FLT3
SCHEMBL23625236 0.86 ALK (0.66) ALKEGFRIGF1RKCNH2FLT3
SCHEMBL23624995 0.84 EGFR (0.62) EGFRIGF1RCDK1KDRMAPK8
SCHEMBL23624997 0.84 EGFR (0.62) EGFRCDK1KDRMAPK8MAPK9
SCHEMBL23624952 0.82 EGFR (0.53) ALKEGFRIGF1RKCNH2CDK1

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