SCHEMBL10327307

SCHEMBL10327307

C=CC#Cc1c(NNC(=O)Nc2cccc(C(F)(F)F)c2)nc(N)nc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 4/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDR P35968 4/20 0.41
▸ LCK P06239 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ TNNI3K Q59H18 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CDK8 P49336 2/20 0.39

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
SCHEMBL967392 0.87 LMNA (0.53) LMNAALDH1A1MAPTNPC1GAA
SCHEMBL10327389 0.84 LMNA (0.55) LMNAALDH1A1MAPTNPC1GAA
SCHEMBL963926 0.78 ALDH1A1 (0.48) LMNAALDH1A1MAPTNPC1GAA
SCHEMBL964493 0.74 ALDH1A1 (0.51) LMNAALDH1A1MAPTGAASMN1; SMN2
SCHEMBL10327490 0.72 ALDH1A1 (0.53) LMNAALDH1A1MAPTSMN1; SMN2KDR
SCHEMBL3460054 0.71 SMN1; SMN2 (0.44) LMNAALDH1A1MAPTNPC1GAA
SCHEMBL963272 0.71 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTGAASMN1; SMN2
SCHEMBL3460056 0.70 SMN1; SMN2 (0.40) LMNAALDH1A1MAPTNPC1GAA
SCHEMBL10327088 0.69 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTNPC1GAA
SCHEMBL10327209 0.69 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTNPC1GAA

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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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