SCHEMBL6074829

SCHEMBL6074829

COc1ccc(-c2cnc(N)cn2)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 18/20 0.49
▸ FEN1 P39748 17/20 0.49
▸ MAPT P10636 1/20 0.42

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
SCHEMBL6075271 0.80 ALOX5AP (0.53) ALOX5APFEN1MAPT
SCHEMBL6074920 0.80 ALOX5AP (0.50) ALOX5APFEN1
SCHEMBL5550517 0.77 ALOX5AP (0.53) ALOX5APFEN1MAPT
SCHEMBL28371574 0.74 NPC1 (0.46) MAPT
SCHEMBL16879692 0.71 DYRK1A (0.49) MAPT
SCHEMBL168656 0.71 NPC1 (0.53) ALOX5APFEN1MAPT
SCHEMBL404674 0.70 ALDH1A1 (0.52) MAPT
SCHEMBL15707627 0.70 DRD1 (0.56) MAPT
SCHEMBL2643818 0.69 KDM1A (0.53) ALOX5APFEN1
SCHEMBL28802576 0.68 MAOA (0.49) MAPT

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-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 — — US disclosed
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