SCHEMBL21861605

SCHEMBL21861605

Nc1cncc(-c2cnc(N3CC4C5C4C53)cn2)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL21609658 0.83 ASIC3 (0.34) —
SCHEMBL21609686 0.81 CHRNA7 (0.32) PIM1
SCHEMBL17609864 0.75 SMPD3 (0.38) PIM1PIM3PIM2ALOX5APFEN1
SCHEMBL17619980 0.72 TRPA1 (0.40) PIM1PIM3PIM2ALOX5APFEN1
SCHEMBL21861621 0.69 CHRNA7 (0.34) —
SCHEMBL21861615 0.68 ASIC3 (0.40) —
SCHEMBL21861339 0.68 — —
SCHEMBL21861466 0.62 ASIC3 (0.41) —
SCHEMBL17609930 0.59 MAP3K12 (0.43) —
SCHEMBL17609994 0.57 PIM1 (0.33) PIM1PIM3PIM2

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-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 — — EP disclosed
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