SCHEMBL28209516

SCHEMBL28209516

C=CC(=O)Nc1cnc(I)nc1I

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ BTK Q06187 4/20 0.40
▸ ITK Q08881 3/20 0.40
▸ TGM2 P21980 5/20 0.37
▸ GSTO1 P78417 1/20 0.36
▸ TEK Q02763 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ F13A1 P00488 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TGM1 P22735 1/20 0.35
▸ TGM3 Q08188 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ EGFR P00533 2/20 0.34

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
SCHEMBL3548542 0.70 BTK (0.49) PTPN1PTPN11BTKMAPK3FGFR1
SCHEMBL28209518 0.70 EGFR (0.39) PTPN1PTPN11BTKITKTGM2
Sulfuric Acid SCHEMBL5244029 0.67 MAPK3 (0.41) PTPN1PTPN11ITKTGM2MAPK3
SCHEMBL28705303 0.65 TGM2 (0.55) PTPN1PTPN11BTKTGM2GSTO1
SCHEMBL613090 0.64 TGM2 (0.65) PTPN1PTPN11BTKTGM2GSTO1
SCHEMBL31228347 0.64 TGM2 (0.65) PTPN1PTPN11BTKTGM2GSTO1
SCHEMBL4452979 0.63 TGM2 (0.46) PTPN1PTPN11TGM2GSTO1F13A1
SCHEMBL9665615 0.63 PTPN1 (0.65) PTPN1PTPN11BTKTGM2GSTO1
SCHEMBL21808438 0.62 TGM2 (0.44) TGM2GSTO1TEKKDRF13A1
SCHEMBL30685458 0.62 TGM2 (0.44) TGM2GSTO1TEKKDRF13A1

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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