SCHEMBL21063580

SCHEMBL21063580

O=C(OC(=O)C(F)(F)F)c1ccn(C2CNC2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MGLL Q99685 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL21063578 0.80 CHRNA7 (0.38) IRAK4PDK1PDK2FAAHMGLL
SCHEMBL21063666 0.75 SMN1; SMN2 (0.34) MGLL
SCHEMBL21063652 0.74 ACHE (0.49) —
SCHEMBL21063624 0.74 KDM2B (0.33) —
SCHEMBL4956499 0.69 HTR2C (0.48) IRAK4
SCHEMBL22660701 0.69 ACKR3 (0.44) —
SCHEMBL29098496 0.67 PLAT (0.42) IRAK4PDK1PDK2
SCHEMBL24958725 0.66 PLAT (0.48) IRAK4
SCHEMBL21063473 0.63 PDK1 (0.32) PDK1PDK2
SCHEMBL25263478 0.62 HTR2A (0.43) —

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-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
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