SCHEMBL20098873

SCHEMBL20098873

Cc1cc(C)nc(C(O)Nc2cnc3ccc(N4CC[C@H](F)C4)nn23)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL20098857 0.89 NTRK1 (0.37) NTRK1IRAK4
SCHEMBL20098872 0.82 NTRK1 (0.39) NTRK1
SCHEMBL14897027 0.81 NTRK1 (0.43) NTRK1IRAK4
SCHEMBL18655146 0.81 NTRK1 (0.43) NTRK1IRAK4
SCHEMBL14897293 0.75 IRAK4 (0.49) NTRK1IRAK4
SCHEMBL14897269 0.75 IRAK4 (0.49) NTRK1IRAK4
SCHEMBL14882121 0.73 NTRK1 (0.44) NTRK1IRAK4
SCHEMBL14882125 0.73 NTRK1 (0.44) NTRK1IRAK4
SCHEMBL21765939 0.73 PDE10A (0.44) NTRK1IRAK4
SCHEMBL18655256 0.72 TGFBR1 (0.37) —

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-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
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