SCHEMBL5781584

SCHEMBL5781584

CC(=O)c1cccc(Nc2nccc(-c3sc(N)nc3-c3ccccc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.54
CDK9 P50750 2/20 0.54
ABL1 P00519 7/20 0.53
BCR P11274 6/20 0.53
PRKCA P17252 3/20 0.53
SRC P12931 4/20 0.52
PDGFRB P09619 2/20 0.52
PDGFRA P16234 2/20 0.52
PRKCD Q05655 2/20 0.52
PRKD3 O94806 1/20 0.52
PRKCG P05129 1/20 0.52
PRKCB P05771 1/20 0.52
PRKCH P24723 1/20 0.52
PRKCI P41743 1/20 0.52
PRKCE Q02156 1/20 0.52
PRKCQ Q04759 1/20 0.52
PRKCZ Q05513 1/20 0.52
PRKD1 Q15139 1/20 0.52
JAK2 O60674 1/20 0.52
GSK3B P49841 3/20 0.51

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
SCHEMBL5781477 0.92 EGFR (0.57) CCNT1CDK9ABL1BCRPRKCA
SCHEMBL5782012 0.91 ABL1 (0.63) CCNT1CDK9ABL1BCRPRKCA
SCHEMBL5780635 0.84 KCNH2 (0.57) CCNT1CDK9ABL1PRKCAPRKCD
SCHEMBL5781152 0.83 CDK4 (0.59) CCNT1CDK9ABL1BCRSRC
SCHEMBL5779741 0.83 CCNT1 (0.53) CCNT1CDK9ABL1BCRPRKCA
SCHEMBL5780393 0.83 CAMK2D (0.62) CCNT1CDK9ABL1BCRPRKCA
SCHEMBL5780335 0.83 CCNT1 (0.51) CCNT1CDK9ABL1BCRSRC
SCHEMBL5779921 0.83 CCNT1 (0.51) CCNT1CDK9ABL1BCRSRC
SCHEMBL5781821 0.82 PIK3CG (0.60) CCNT1CDK9ABL1PRKD3PRKCG
SCHEMBL5778418 0.82 CCNT1 (0.51) CCNT1CDK9ABL1BCRPRKCA

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
EP-1434776-B1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2006-06-28 EP claimed