SCHEMBL7464949

SCHEMBL7464949

CCN(CC)CCOc1cccc(Nc2nccc(-c3ccco3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.59
SRC P12931 3/20 0.49
YES1 P07947 1/20 0.49
PIK3CG P48736 5/20 0.47
PIK3CA P42336 4/20 0.47
PIK3CB P42338 4/20 0.47
FGFR1 P11362 2/20 0.47
FGFR3 P22607 2/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
EGFR P00533 2/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
AIMP2 Q13155 1/20 0.45
GSK3B P49841 2/20 0.44
JAK2 O60674 4/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43

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
SCHEMBL7466120 0.84 AGER (0.67) AGERSRCYES1PIK3CGPIK3CA
SCHEMBL7464616 0.82 ABL1 (0.68) AGERSRCPIK3CGPIK3CAPIK3CB
SCHEMBL13924608 0.81 SYK (0.66) AGERSRCYES1FGFR1FGFR3
SCHEMBL7052367 0.81 AGER (0.66) AGERSRCYES1PIK3CGPIK3CA
SCHEMBL7052995 0.81 AGER (0.60) AGERSRCYES1PIK3CGPIK3CA
SCHEMBL7464926 0.78 AIMP2 (0.58) SRCABL1BCREGFRPRKCA
SCHEMBL7471212 0.77 CDK5 (0.47) SRCPIK3CGPIK3CAPIK3CBABL1
SCHEMBL7464447 0.76 PIK3CA (0.62) SRCPIK3CGPIK3CAPIK3CBABL1
SCHEMBL7660259 0.74 AGER (0.55) AGERSRCYES1PIK3CGPIK3CA
SCHEMBL18304247 0.74 AGER (1.00) AGERSRCYES1PIK3CGPIK3CA

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed