SCHEMBL23624996

SCHEMBL23624996

CS(C)(=O)=Nc1ccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.58
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
CCNB2 O95067 5/20 0.54
CDK1 P06493 5/20 0.54
CCNB1 P14635 5/20 0.54
CCNB3 Q8WWL7 5/20 0.54
BRD4 O60885 1/20 0.51
EIF2AK2 P19525 3/20 0.51
EGFR P00533 2/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
SRC P12931 1/20 0.50
PRKCA P17252 1/20 0.50
PRKACA P17612 1/20 0.50
PRKACG P22612 1/20 0.50
PRKACB P22694 1/20 0.50
PRKCD Q05655 1/20 0.50
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48

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
SCHEMBL144954 0.82 CCNB2 (0.76) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL31588329 0.82 CCNB2 (0.76) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL23624995 0.81 EGFR (0.62) CDK1CCNB1EGFRMAPK8MAPK9
SCHEMBL23625131 0.81 JAK1 (0.50) FLT3CCNB2CDK1CCNB1CCNB3
SCHEMBL4510383 0.80 FLT3 (0.64) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL7467183 0.80 FLT3 (0.60) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL4517500 0.80 FLT3 (0.60) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL13608591 0.78 EGFR (0.62) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL140969 0.77 CCNB2 (0.64) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL29001472 0.76 FLT3 (0.61) FLT3MKNK1MKNK2CCNB2CDK1

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