SCHEMBL5218860

SCHEMBL5218860

C=CCOc1ccc(Br)cc1Cc1ccnc(N)c1N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL5214956 0.79 CCR5 (0.52) HTTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5248494 0.75 MEN1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL8265529 0.74 MEN1 (0.54) KMT2AHTTMEN1MAPK1HPGD
SCHEMBL7812842 0.73 KMT2A (0.62) KMT2AHTTMEN1MAPK1HPGD
SCHEMBL7812819 0.72 MAPK1 (0.66) KMT2AHTTMEN1MAPK1HPGD
SCHEMBL31676672 0.72 HPGD (0.56) KMT2AHTTMEN1MAPK1HPGD
SCHEMBL5645943 0.72 HPGD (0.56) KMT2AHTTMEN1MAPK1HPGD
SCHEMBL2187712 0.70 MAPK1 (0.59) KMT2AHTTMEN1MAPK1HPGD
SCHEMBL20139425 0.68 MEN1 (0.50) KMT2AHTTMEN1MAPK1HPGD
SCHEMBL2322279 0.68 HPGD (0.59) KMT2AHTTMEN1MAPK1HPGD

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-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
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