SCHEMBL14153221

SCHEMBL14153221

N/C(=N\O)c1ccc(-c2ccncc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.45
▸ MAPK3 P27361 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALOX5 P09917 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ MAP2K3 P46734 1/20 0.37
▸ HPGDS O60760 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKG1 Q13976 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL14355076 0.79 HPGDS (0.56) LDHANPC1RXFP1MAPK14CYP11B1
SCHEMBL5473610 0.78 BRAF (0.59) BRAFMAPK3MAPK1ALOX5KDM1A
SCHEMBL14153247 0.78 BRAF (0.59) BRAFMAPK3MAPK1ALOX5KDM1A
SCHEMBL14153528 0.77 P4HTM (0.55) MAPK1KDM1ANPC1HPGDSGAA
SCHEMBL14433318 0.75 APP (0.36) KDM1ANPC1GAARAB9A
SCHEMBL12572567 0.74 RAB9A (0.36) BRAFMAPK3MAPK1LDHAKDM1A
SCHEMBL14153035 0.74 HPGDS (0.70) LDHAKDM1ANPC1RXFP1CYP11B1
SCHEMBL5734988 0.74 LDHA (0.73) LDHANPC1RXFP1GAARAB9A
SCHEMBL641911 0.73 KDM1A (0.53) BRAFMAPK3MAPK1ALOX5KDM1A
SCHEMBL282989 0.73 KDM1A (0.53) BRAFMAPK3MAPK1ALOX5KDM1A

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-2012162635-A1 METABOTROPIC GLUTAMATE RECEPTORS 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-11-29 — — WO disclosed
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