SCHEMBL17112018

SCHEMBL17112018

NC(=O)c1ccc2cn(-c3ccccc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PARP1 P09874 2/20 0.52
▸ PARP2 Q9UGN5 2/20 0.52
▸ PARP3 Q9Y6F1 2/20 0.52
▸ FGFR1 P11362 1/20 0.51
▸ ESR2 Q92731 1/20 0.50
▸ NAMPT P43490 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 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
SCHEMBL20765774 0.82 PARP1 (0.52) MAPTMEN1NPC1LMNARAB9A
SCHEMBL29633279 0.81 ADORA3 (0.42) KMT2APARP1FGFR1ALDH1A1JAK2
SCHEMBL15910787 0.76 MAPT (0.57) MAPTMEN1NPC1LMNARAB9A
SCHEMBL3715135 0.76 CHEK2 (0.43) PARP1PARP2FGFR1ALDH1A1JAK2
SCHEMBL9989118 0.75 KDM4E (0.57) MAPTKMT2ASMN1; SMN2ALDH1A1JAK2
SCHEMBL9989115 0.75 MKNK1 (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1JAK2
SCHEMBL19328774 0.74 MKNK1 (0.46) PARP1PARP2PARP3ESR2ALDH1A1
SCHEMBL29564697 0.74 MKNK1 (0.46) PARP1PARP2PARP3ESR2ALDH1A1
SCHEMBL3668881 0.74 ESR2 (0.50) MAPTMEN1NPC1LMNARAB9A
SCHEMBL31311094 0.73 PLA2G10 (0.50) MAPTMEN1NPC1LMNARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122344-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP claimed
WO-2015148354-A2 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO claimed
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