SCHEMBL21099457

SCHEMBL21099457

COc1cc2c(cc1Nc1nc(OCc3ccccc3SC(C)C)c3sccc3n1)N(C(=O)CN(C)C)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.52
▸ PLK1 P53350 8/20 0.52
▸ IGF1R P08069 12/20 0.49
▸ INSR P06213 3/20 0.49
▸ DAPK3 O43293 2/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ ROS1 P08922 2/20 0.44
▸ FER P16591 2/20 0.44
▸ LTK P29376 2/20 0.44
▸ AXL P30530 2/20 0.44
▸ MAPK8 P45983 2/20 0.44
▸ MAPK9 P45984 2/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ CSNK2A1 P68400 2/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ LRRK2 Q5S007 2/20 0.44
▸ TAOK1 Q7L7X3 2/20 0.44
▸ HIPK4 Q8NE63 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 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
SCHEMBL19867232 0.88 ALK (0.62) ALKPLK1IGF1RINSRDAPK3
SCHEMBL21099560 0.87 ALK (0.59) ALKPLK1IGF1RINSRDAPK3
SCHEMBL21099491 0.81 PLK1 (0.60) ALKPLK1IGF1RINSRDAPK3
SCHEMBL21099630 0.81 PLK1 (0.55) ALKPLK1IGF1RINSRDAPK3
SCHEMBL19867327 0.80 PLK1 (0.57) ALKPLK1IGF1RINSRDAPK3
SCHEMBL21100226 0.78 PTK2 (0.57) ALKIGF1RPTK2TNK2JAK2
SCHEMBL19867350 0.78 ALK (0.66) ALKPLK1IGF1RINSRDAPK3
SCHEMBL21099448 0.78 ALK (0.59) ALKPLK1IGF1RINSRDAPK3
SCHEMBL21099676 0.77 ALK (0.77) ALKPLK1IGF1RINSRDAPK3
SCHEMBL21099569 0.77 IGF1R (0.53) ALKPLK1IGF1RINSRMAPK8

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-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 — — EP disclosed
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