SCHEMBL19670491

SCHEMBL19670491

O=C(Nc1cnccn1)N1c2nc(-c3cc(F)cc(F)c3)ccc2N2CCC21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ NPY5R Q15761 4/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ GSK3B P49841 4/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ KARS1 Q15046 1/20 0.34
▸ DYRK1A Q13627 3/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ NAMPT P43490 1/20 0.33

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
SCHEMBL19364826 0.88 FAAH (0.42) FAAHNPY5RKMT2AGSK3BDYRK1A
SCHEMBL19670319 0.88 FAAH (0.42) FAAHNPY5RKMT2AGSK3BDYRK1A
SCHEMBL19670235 0.86 GSK3B (0.36) FAAHKMT2AGSK3BKARS1DYRK1A
SCHEMBL19365761 0.86 MAPT (0.37) FAAHKMT2AGRM5GSK3BKARS1
SCHEMBL19364899 0.85 ALOX15 (0.38) GSK3BCDK5GSK3ADYRK1A
SCHEMBL17618621 0.84 FAAH (0.39) FAAHSCN9ANPY5RKMT2AGRM5
SCHEMBL19670370 0.84 P2RX7 (0.38) KMT2ACDK8
SCHEMBL19365582 0.83 GSK3B (0.39) FAAHKMT2AGSK3BDYRK1A
SCHEMBL19670325 0.83 GSK3B (0.39) FAAHKMT2AGSK3BDYRK1A
SCHEMBL19365464 0.81 TRPV1 (0.39) FAAHKMT2A

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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