SCHEMBL13624973

SCHEMBL13624973

N=C/C=C\Nc1ccc(N)cc1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL2627172 0.82 NPC1 (0.33) MAPTMAPK1ALDH1A1TDP1
SCHEMBL13175588 0.72 MAPT (0.40) GAACASP1MAPTMAPK1ALDH1A1
SCHEMBL19943717 0.71 AOC1 (0.35) GAAMAPTALDH1A1TDP1
SCHEMBL7589418 0.66 CASP1 (0.44) GAACASP1MAPTMAPK1ALDH1A1
SCHEMBL12276331 0.66 ALDH1A1 (0.41) MAPTALDH1A1
SCHEMBL5027429 0.66 PTGS1 (0.35) MAPT
Hydrochloric Acid SCHEMBL28937662 0.65 CASP1 (0.42) GAACASP1MAPTMAPK1ALDH1A1
SCHEMBL19511883 0.65 MAPT (0.43) GAACASP1MAPTMAPK1ALDH1A1
SCHEMBL784058 0.65 PRKCI (0.53) GAACASP1MAPTMAPK1ALDH1A1
SCHEMBL29380092 0.65 MAPT (0.43) GAACASP1MAPTMAPK1ALDH1A1

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-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 — — WO disclosed
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