SCHEMBL20865114

SCHEMBL20865114

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMTK3 Q96Q04 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
PDK1 Q15118 1/20 0.71
NTRK1 P04629 9/20 0.67
PRKCQ Q04759 7/20 0.67
KDR P35968 7/20 0.67
PRKD3 O94806 5/20 0.67
PRKCA P17252 5/20 0.67
PRKCH P24723 5/20 0.67
PRKCI P41743 5/20 0.67
PRKCE Q02156 5/20 0.67
PRKCD Q05655 5/20 0.67
PRKD1 Q15139 5/20 0.67
MAP3K11 Q16584 5/20 0.67
PRKCG P05129 4/20 0.67
PRKCB P05771 4/20 0.67
PRKCZ Q05513 4/20 0.67
MYLK Q15746 4/20 0.67
MAP3K9 P80192 4/20 0.67
MAP3K10 Q02779 4/20 0.67

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
SCHEMBL20865121 0.99 LMTK3 (0.70) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865113 0.97 LMTK3 (0.69) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865110 0.95 NTRK1 (0.70) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865159 0.92 PRKCQ (0.63) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865173 0.92 LMTK3 (0.85) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865257 0.92 PRKCQ (0.70) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865172 0.92 PRKCQ (0.64) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865256 0.91 PRKCQ (0.71) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865122 0.90 PRKCQ (0.71) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ
SCHEMBL20865158 0.90 PRKCQ (0.65) LMTK3SMN1; SMN2PDK1NTRK1PRKCQ

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