SCHEMBL16682229

SCHEMBL16682229

Nc1cncc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ DHFR P00374 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ GSK3B P49841 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ PLAU P00749 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ MET P08581 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35

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
SCHEMBL12939259 0.91 NR3C1 (0.39) BACE1JAK2DHFRMAP4K4GSK3B
SCHEMBL16452322 0.80 L3MBTL1 (0.46) GSK3BNR3C1NPY5RMEN1KMT2A
SCHEMBL8400376 0.78 LDHA (0.38) BACE1JAK2DHFRMAP4K4GSK3B
SCHEMBL16785743 0.78 L3MBTL1 (0.44) NR3C1CYP11B1CYP11B2NPY5RMEN1
SCHEMBL17879108 0.76 MEN1 (0.36) NPY5RMEN1KMT2A
SCHEMBL20711121 0.76 L3MBTL1 (0.45) NR3C1CYP11B1CYP11B2NPY5RMEN1
SCHEMBL24412642 0.75 TRIM58 (0.42) BACE1JAK2DHFRMAP4K4NR3C1
SCHEMBL17952813 0.75 CHRNA7 (0.40) JAK2MAP4K4GSK3BGSK3APLAU
SCHEMBL13320898 0.75 HTT (0.47) JAK2NR3C1MEN1KMT2A
SCHEMBL20232268 0.74 NPC1 (0.41) MAP4K4PIK3CAMEN1KMT2A

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
US-9099658-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2015-08-04 — — US disclosed
US-20150115225-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2015-04-30 — — US disclosed
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