SCHEMBL17847672

SCHEMBL17847672

Nc1ccn2nccc2c1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.38
DYRK1A Q13627 1/20 0.36
SMPD3 Q9NY59 2/20 0.34
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18839991 0.79 MAP4K4 (0.36) MAP4K4DYRK1ASMPD3POLB
SCHEMBL31291220 0.79 MAP4K4 (0.36) MAP4K4DYRK1ASMPD3POLBMAPT
SCHEMBL6745049 0.79 MAP4K4 (0.36) MAP4K4DYRK1ASMPD3POLBHSP90AA1
SCHEMBL4773662 0.79 MAP4K4 (0.36) MAP4K4DYRK1APOLBMEN1LMNA
SCHEMBL31291221 0.79 MAP4K4 (0.36) MAP4K4DYRK1ASMPD3POLBMAPT
SCHEMBL25421804 0.79 MAP4K4 (0.36) MAP4K4DYRK1ASMPD3POLB
SCHEMBL2849280 0.76 MAP4K4 (0.53) MAP4K4DYRK1ASMPD3POLBKDM4E
SCHEMBL5495779 0.76 MAP4K4 (0.44) MAP4K4DYRK1ASMPD3HSP90AA1HSP90AB1
SCHEMBL18839986 0.75 MAP4K4 (0.33) MAP4K4DYRK1ASMPD3KDM4EGAA
SCHEMBL30489874 0.71 MAP4K4 (0.53) MAP4K4DYRK1ASMPD3POLB

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-2016097124-A1 COMPOSITION FOR DYEING OR LIGHTENING KERATIN FIBRES, IN THE FORM OF A MICROEMULSION BASED ON OIL(S) AND SURFACTANT(S) L'OREAL (FR) 2016-06-23 WO disclosed