SCHEMBL13616658

SCHEMBL13616658

Cc1ncc(Br)nc1/N=C/N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.33
GLA P06280 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL274106 0.84 ALOX15 (0.40) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL279459 0.84 ALOX15 (0.40) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL274107 0.84 ALOX15 (0.40) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL13444916 0.82 ALDH1A1 (0.38) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL31329816 0.81 ALOX15 (0.38) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL23143393 0.76 ALOX15 (0.36) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL23143392 0.76 ALOX15 (0.36) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL6375896 0.74 ALDH1A1 (0.41) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL23030180 0.72 CYP1A2 (0.39) ALOX15RECQLL3MBTL1KDM4EALDH1A1
SCHEMBL29882667 0.72 CYP1A2 (0.39) ALOX15RECQLL3MBTL1KDM4EALDH1A1

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-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 WO disclosed