SCHEMBL14247635

SCHEMBL14247635

Nc1nc2ccc(Br)cc2n1-c1cccc(-c2cnco2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAP4K4 O95819 1/20 0.47
GAA P10253 1/20 0.42
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AAK1 Q2M2I8 10/20 0.37
MAPK14 Q16539 1/20 0.36
HDAC4 P56524 1/20 0.36
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
PTK2 Q05397 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
SCHEMBL14247592 0.75 HCAR1 (0.47) MEN1KMT2AGAAMAPK14CSNK1A1
SCHEMBL14247366 0.74 ALDH1A1 (0.47) MEN1KMT2AMAPK14ADORA2AADORA1
SCHEMBL4755701 0.72 MEN1 (1.00) MEN1KMT2AMAP4K4GAACYP11B1
SCHEMBL7306716 0.72 ADORA2A (0.45) MEN1KMT2AGAAADORA2AADORA1
SCHEMBL14247710 0.72 PI4KA (0.49)
SCHEMBL14247826 0.71 DHFR (0.46)
SCHEMBL7165172 0.71 NOS2 (0.49) MEN1KMT2AMAPK14ADORA2AADORA1
SCHEMBL14247782 0.70 NCF1 (0.46) MEN1KMT2A
SCHEMBL14247504 0.68 HCAR1 (0.49) MEN1KMT2AGAAADORA2AADORA1
SCHEMBL2158739 0.67 KMT2A (0.75) MEN1KMT2AMAP4K4GAACYP11B1

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
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed