SCHEMBL20865161

SCHEMBL20865161

C=CC(=O)OCCCOC(=O)[C@@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.69
ROCK2 O75116 3/20 0.69
LMTK3 Q96Q04 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PDK1 Q15118 1/20 0.67
NTRK1 P04629 8/20 0.60
KDR P35968 7/20 0.60
PRKD3 O94806 5/20 0.60
PRKCA P17252 5/20 0.60
PRKCH P24723 5/20 0.60
PRKCI P41743 5/20 0.60
PRKCE Q02156 5/20 0.60
PRKCD Q05655 5/20 0.60
PRKD1 Q15139 5/20 0.60
MAP3K11 Q16584 5/20 0.60
PRKCG P05129 4/20 0.60
PRKCB P05771 4/20 0.60
PRKCZ Q05513 4/20 0.60
MYLK Q15746 4/20 0.60
MAP3K9 P80192 4/20 0.60

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
SCHEMBL20865168 0.98 LMTK3 (0.69) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865174 0.98 LMTK3 (0.70) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865167 0.92 LMTK3 (0.81) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865117 0.90 PRKCQ (0.65) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865158 0.90 PRKCQ (0.65) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865173 0.90 LMTK3 (0.85) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865172 0.89 PRKCQ (0.64) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865159 0.89 PRKCQ (0.63) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865155 0.88 LMTK3 (0.79) PRKCQROCK2LMTK3SMN1; SMN2PDK1
SCHEMBL20865171 0.88 PRKCQ (0.67) PRKCQROCK2LMTK3SMN1; SMN2PDK1

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-2019067396-A1 ZAP-70 KINASE INHIBITOR COMPOSITIONS, METHODS AND USES THEREOF SNAP BIO, INC. (US) 2019-04-04 WO disclosed