SCHEMBL7986045

SCHEMBL7986045

Oc1cccc(Oc2n[c]c(-c3ccnc(Oc4ccc(Oc5ccccc5)cc4)n3)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK1 Q13464 1/20 0.39
MAPK14 Q16539 3/20 0.39
PIK3CA P42336 1/20 0.36
SYK P43405 1/20 0.35
TNK2 Q07912 1/20 0.35
LTA4H P09960 1/20 0.34
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK8 P45983 1/20 0.34
CHEK1 O14757 1/20 0.34
LCK P06239 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL7986965 0.86 MAPT (0.41) MEN1HTTKMT2AMAPK14MAPT
SCHEMBL7985834 0.85 MEN1 (0.43) MEN1HTTKMT2AMAPK14PIK3CA
SCHEMBL7988190 0.83 PDE10A (0.45) MEN1HTTKMT2AMAPK14PIK3CA
SCHEMBL7989153 0.82 ALDH1A1 (0.43) MEN1HTTKMT2ALTA4HMAPT
SCHEMBL7986104 0.76 KDM4E (0.39) MAPK14MAPTL3MBTL1
SCHEMBL7985956 0.76 MAPK14 (0.41) MEN1HTTKMT2AMAPK14MAPT
SCHEMBL7974745 0.75 MAPK14 (0.40) MEN1KMT2AMAPK14SYK
SCHEMBL7991980 0.74 MAOB (0.51) HTTMAPK14
SCHEMBL7992858 0.73 MAPK14 (0.40) MEN1HTTKMT2AMAPK14SYK
SCHEMBL7989104 0.72 PPP1CA (0.50) KMT2AMAPK14MAPTL3MBTL1PDE10A

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-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO disclosed