SCHEMBL19928566

SCHEMBL19928566

COCc1cc(C#N)ccc1-c1cnc2cnc(-c3ccc(C(=O)OC)c(OC)c3)cn12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.45
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
RIPK2 O43353 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38

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
SCHEMBL15286332 0.86 MKNK1 (0.55) FYNMKNK1MKNK2
SCHEMBL19928565 0.82 MKNK1 (0.49) FYNMKNK1MKNK2
SCHEMBL15288662 0.78 MKNK1 (0.55) FYNMKNK1MKNK2
SCHEMBL19928564 0.74 MKNK1 (0.39) MKNK1MKNK2
SCHEMBL15288110 0.73 MKNK1 (0.71) FYNMKNK1MKNK2
SCHEMBL15288167 0.73 MKNK1 (0.60) FYNMKNK1MKNK2
SCHEMBL15288484 0.73 MKNK1 (0.63) FYNMKNK1MKNK2
SCHEMBL15288329 0.70 MKNK1 (0.59) FYNMKNK1MKNK2
SCHEMBL15288274 0.70 MKNK1 (0.58) FYNMKNK1MKNK2
SCHEMBL15288099 0.69 MKNK1 (0.62) FYNMKNK1MKNK2

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
US-9908886-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-06 US disclosed