SCHEMBL18654629

SCHEMBL18654629

CCOC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4ccccc4OC(F)(F)F)nn23)NN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RIPK1 Q13546 11/20 0.39
▸ RORC P51449 1/20 0.38
▸ NTRK1 P04629 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL18654740 0.91 RIPK1 (0.40) MAPTTP53RIPK1NTRK1
SCHEMBL18654741 0.89 MAPT (0.35) MAPTTP53NTRK1MEN1KMT2A
SCHEMBL18654742 0.89 RIPK1 (0.40) RIPK1NTRK1SCN9A
SCHEMBL18654802 0.88 ADORA2A (0.36) MAPTTP53MEN1KMT2A
SCHEMBL18654797 0.88 MAPT (0.37) MAPTTP53MEN1KMT2A
SCHEMBL18654738 0.85 FYN (0.47) RIPK1
SCHEMBL18654863 0.84 RIPK1 (0.37) RIPK1NTRK1SCN9A
SCHEMBL14896733 0.81 RIPK1 (0.40) MAPTTP53RIPK1RORCSCN9A
SCHEMBL18655158 0.81 TP53 (0.42) MAPTTP53
SCHEMBL18654743 0.80 MAPT (0.36) MAPTTP53RIPK1NTRK1

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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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