SCHEMBL14247181

SCHEMBL14247181

Nc1nc2ccc(Br)cc2n1CC1CCCCC1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KCNA5 P22460 2/20 0.33
▸ SCN5A Q14524 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ HTR7 P34969 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTR6 P50406 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
SCHEMBL14247290 0.79 IRAK4 (0.39) IRAK4PIK3CDPIK3CAPIK3CBALOX15
SCHEMBL14247511 0.76 ALOX15 (0.53) ALOX15MAPK1KMT2A
SCHEMBL20641274 0.75 AURKA (0.47) ALOX5BRD4KMT2AMAP4K4HTR7
SCHEMBL14247207 0.73 ALOX15 (0.47) ALOX15MAPK1KMT2A
SCHEMBL14247342 0.71 BRD4 (0.47) ALOX5BRD4ALOX15MAPK1KMT2A
SCHEMBL14247233 0.70 NPSR1 (0.46) ALOX15MAPK1KMT2AHTR7HTR6
SCHEMBL14247641 0.70 CNR2 (0.47) BRD4
SCHEMBL14247880 0.70 ALOX15 (0.33) PIK3CDPIK3CAPIK3CBALOX15MAPK1
SCHEMBL14247546 0.70 AAK1 (0.39) BRD4PIK3CDPIK3CAPIK3CBALOX15
SCHEMBL14247586 0.68 CCNC (0.43) IRAK4PIK3CDPIK3CA

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
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