SCHEMBL15958461

SCHEMBL15958461

COc1ccc(CN2C[C@@H]3C[C@@H](O3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.52
▸ GAA P10253 1/20 0.47
▸ CMA1 P23946 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL15400067 1.00 GRM2 (0.52) GRM2GAACMA1MMP1MMP13
SCHEMBL15399382 0.76 SMN1; SMN2 (0.57) GRM2CMA1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15958463 0.76 SMN1; SMN2 (0.57) GRM2CMA1SMN1; SMN2ALDH1A1MAPT
SCHEMBL26116306 0.73 GAA (0.51) GRM2GAACMA1MMP1MMP13
SCHEMBL28155226 0.71 ALDH1A1 (0.53) GRM2GAACMA1MMP1MMP13
SCHEMBL17360667 0.71 CMA1 (0.59) GRM2GAACMA1MMP1MMP13
SCHEMBL29136262 0.70 GRM2 (0.50) GRM2GAACMA1MMP1MMP13
SCHEMBL1674206 0.70 GRM2 (0.50) GRM2GAACMA1MMP1MMP13
SCHEMBL8348748 0.70 GRM2 (0.56) GRM2GAACMA1MMP1MMP13
SCHEMBL14686990 0.70 MMP1 (0.62) GRM2GAACMA1MMP1MMP13

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
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 — — EP disclosed
US-8809359-B2 Phenyl amino pyrimidine bicyclic compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2014-08-19 — — US disclosed
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