SCHEMBL18654639

SCHEMBL18654639

O=C(NC1=CC=CNN1)c1cnc2ccc(N3CCCC3C(F)(F)F)nn12

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.40
▸ IRAK4 Q9NWZ3 3/20 0.40

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
SCHEMBL18654697 0.83 NTRK1 (0.33) NTRK1
SCHEMBL18654416 0.83 NTRK1 (0.33) NTRK1
SCHEMBL18654872 0.82 IRAK4 (0.47) IRAK4
SCHEMBL14897739 0.79 NTRK1 (0.46) NTRK1IRAK4
SCHEMBL14881453 0.79 NTRK1 (0.44) NTRK1
SCHEMBL14881970 0.78 NTRK1 (0.43) NTRK1IRAK4
SCHEMBL14897003 0.78 LMNA (0.43) NTRK1IRAK4
SCHEMBL14881516 0.78 LMNA (0.43) NTRK1IRAK4
SCHEMBL14897403 0.78 NTRK1 (0.45) NTRK1IRAK4
SCHEMBL14897267 0.78 NTRK1 (0.46) NTRK1

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
Send feedback