SCHEMBL28209518

SCHEMBL28209518

C=CC(=O)Nc1ncc(I)c(I)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.39
▸ ITK Q08881 4/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ BTK Q06187 3/20 0.37
▸ TGM2 P21980 3/20 0.37
▸ GSTO1 P78417 1/20 0.36
▸ MAPK3 P27361 3/20 0.36
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ F13A1 P00488 1/20 0.35
▸ TGM1 P22735 1/20 0.35

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
SCHEMBL28564782 0.72 TGM2 (0.52) EGFRITKPTPN1PTPN11BTK
SCHEMBL4452979 0.71 TGM2 (0.46) EGFRPTPN1PTPN11TGM2GSTO1
SCHEMBL6524322 0.71 CCNA2 (0.57) EGFRITKPTPN1PTPN11TGM2
SCHEMBL28209516 0.70 PTPN1 (0.41) EGFRITKPTPN1PTPN11BTK
Sulfuric Acid SCHEMBL5244029 0.70 MAPK3 (0.41) EGFRITKPTPN1PTPN11TGM2
SCHEMBL28810103 0.69 CDK2 (0.48) EGFRITKBTKMAPK3
SCHEMBL7641546 0.69 TGM2 (0.50) EGFRITKPTPN1PTPN11TGM2
SCHEMBL2828674 0.68 EGFR (0.51) EGFRITKPTPN1PTPN11BTK
SCHEMBL21712524 0.68 TGM2 (0.46) EGFRITKBTKTGM2F13A1
SCHEMBL5931306 0.67 TGM2 (0.44) EGFRPTPN1PTPN11TGM2GSTO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107854720-A Medicine-carried polyhydroxylated polymer embolism microball with radiography function and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2018-03-30 — — CN claimed
CN-107854720-A Medicine-carried polyhydroxylated polymer embolism microball with radiography function and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2018-03-30 — — CN disclosed
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