SCHEMBL5873796

SCHEMBL5873796

O=C1Nc2ncc(-c3ccccc3)cc2C1=CNc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.39
FDPS P14324 2/20 0.35
CDK9 P50750 3/20 0.35
CCNT1 O60563 2/20 0.35
NTRK1 P04629 2/20 0.35
CHEK1 O14757 2/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
RET P07949 2/20 0.35
PIM1 P11309 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
RPS6KA3 P51812 2/20 0.35
LIMK1 P53667 2/20 0.35
CDK5 Q00535 2/20 0.35
MAP4K2 Q12851 2/20 0.35
AURKB Q96GD4 2/20 0.35
CLK4 Q9HAZ1 2/20 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
SCHEMBL5873793 1.00 JAK3 (0.39) JAK3FDPSCDK9CCNT1NTRK1
SCHEMBL5873818 0.87 CHEK2 (0.35) JAK3CHEK1METIKBKETBK1
SCHEMBL5873832 0.87 CHEK2 (0.35) JAK3CHEK1METIKBKETBK1
SCHEMBL5873800 0.86 RET (0.34) JAK3CDK9CCNT1RETMAP3K11
SCHEMBL5873812 0.86 RET (0.34) JAK3CDK9CCNT1RETMAP3K11
SCHEMBL6872582 0.86 CDK9 (0.40) JAK3CDK9CCNT1NTRK1CHEK1
SCHEMBL6872584 0.86 CDK9 (0.40) JAK3CDK9CCNT1NTRK1CHEK1
SCHEMBL5873953 0.85 NTRK1 (0.41) FDPSCDK9CCNT1NTRK1FLT3
SCHEMBL5873956 0.85 NTRK1 (0.41) FDPSCDK9CCNT1NTRK1FLT3
SCHEMBL7728583 0.82 JAK3 (0.36) JAK3FDPSCDK9NTRK1CHEK1

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
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed