SCHEMBL8260461

SCHEMBL8260461

C=C/C=C(C(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2C)cc1)\C(C)=C/N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.41
▸ CHEK2 O96017 2/20 0.36
▸ PORCN Q9H237 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ENPP3 O14638 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ SMO Q99835 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ NTRK1 P04629 3/20 0.33
▸ KCNB1 Q14721 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ LIMK1 P53667 2/20 0.33

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
SCHEMBL5033015 0.79 ABL1 (0.47) ABL1CHEK2PORCNPTGDR2ENPP3
SCHEMBL5030575 0.74 KCNB1 (0.52) ABL1CHEK2PORCNPTGDR2F2
SCHEMBL5030737 0.74 ADORA2A (0.51) ABL1CHEK2PORCNPTGDR2MAPK14
SCHEMBL5031519 0.72 ADORA2A (0.53) ABL1PORCNPTGDR2MAPK14
SCHEMBL8261212 0.72 JAK3 (0.35) ABL1KDRROCK2PLK4AURKA
SCHEMBL8235803 0.72 ABL1 (0.39) ABL1CHEK2PORCNPTGDR2ENPP3
SCHEMBL4724893 0.70 ABL1 (0.44) ABL1CHEK2PORCNPTGDR2HDAC2
SCHEMBL4764710 0.70 IL2 (0.58) ABL1PORCN
SCHEMBL8261109 0.69 LMNA (0.51) ABL1PORCNPTGDR2F2F10
SCHEMBL4725014 0.69 IL2 (0.48) ABL1CHEK2PORCNPTGDR2F2

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-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 — — WO disclosed
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