SCHEMBL5694529

SCHEMBL5694529

O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.72
▸ KMT2A Q03164 4/20 0.72
▸ MAPT P10636 3/20 0.72
▸ LMNA P02545 3/20 0.72
▸ RAB9A P51151 5/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.64
▸ XBP1 P17861 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ HTT P42858 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ EPHX1 P07099 1/20 0.57
▸ KCNK3 O14649 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ CSF1R P07333 1/20 0.55
▸ BRAF P15056 1/20 0.55
▸ ROCK2 O75116 1/20 0.55
▸ ROCK1 Q13464 1/20 0.55

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
SCHEMBL5694537 0.88 MEN1 (0.68) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL850791 0.84 MEN1 (1.00) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL7544775 0.83 RAB9A (0.62) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL6054991 0.80 MEN1 (0.58) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL6054898 0.80 TRPA1 (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14785061 0.79 MAPT (1.00) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL5665029 0.79 EPHX2 (0.76) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL5178391 0.78 MEN1 (1.00) MEN1KMT2AMAPTLMNATSHR
SCHEMBL10131874 0.77 ROCK2 (0.73) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL1828384 0.77 TRPV1 (0.60) MEN1KMT2ALMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 — — EP claimed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 — — WO claimed
EP-1682181-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT Novartis AG (CH) 2006-07-26 — — EP disclosed
EP-1667721-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS Novartis AG (CH) 2006-06-14 — — EP disclosed
WO-2005027972-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT NOVARTIS AG (CH) 2005-03-31 — — WO disclosed
WO-2005027973-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS NOVARTIS AG (CH) 2005-03-31 — — WO disclosed
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 — — EP disclosed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 — — WO disclosed
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