SCHEMBL28470488

SCHEMBL28470488

COc1ccc(Nc2nc(C(c3ccccc3)c3ccccc3)nc3nc[nH]c23)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.54
BRAF P15056 3/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
EIF2AK2 P19525 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAP3K5 Q99683 1/20 0.44

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
SCHEMBL2807473 0.77 SRC (0.61) SRCBRAF
SCHEMBL4913787 0.73 RAB9A (0.72) BRAFNPC1MAPTHTTRAB9A
SCHEMBL11015321 0.73 SRC (0.56) SRCBRAFADORA3ADORA1PIK3CA
SCHEMBL28478818 0.72 SRC (0.44) SRCNPC1MAPTRAB9AADORA3
SCHEMBL7112087 0.70 CDK2 (0.62) SRCBRAFADORA3ADORA1
SCHEMBL2998389 0.70 NPC1 (0.70) SRCBRAFNPC1HTTRAB9A
SCHEMBL459414 0.69 ADORA3 (0.68) SRCBRAFADORA3ADORA1
SCHEMBL16146440 0.68 SRC (0.54) SRCBRAFNPC1RAB9AADORA3
SCHEMBL30434006 0.68 ADORA3 (0.55) BRAFHTTRAB9AADORA3PIK3CA
SCHEMBL16146744 0.68 BRAF (0.58) SRCBRAFADORA3ADORA1

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
CN-107074911-B Peptide nucleic acid monomers and oligomers 优基艾森斯股份公司 2020-11-03 CN claimed
CN-107074911-B Peptide nucleic acid monomers and oligomers 优基艾森斯股份公司 2020-11-03 CN disclosed