SCHEMBL7328322

SCHEMBL7328322

FC(F)(F)c1cccc2c1C1=NCCN1C(Cl)=N2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.41
HDAC4 P56524 5/20 0.41
PTGS2 P35354 2/20 0.37
HDAC5 Q9UQL6 4/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC7 Q8WUI4 1/20 0.36
PTAFR P25105 1/20 0.34
SMARCA2 P51531 1/20 0.32
CCR3 P51677 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 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
SCHEMBL7332041 0.82 HDAC8 (0.53) HDAC8HDAC4HDAC5HDAC3HDAC1
SCHEMBL7338632 0.82 HDAC8 (0.53) HDAC8HDAC4PTGS2HDAC5HDAC3
SCHEMBL7335787 0.81 HDAC8 (0.56) HDAC8HDAC4HDAC5HDAC3HDAC1
SCHEMBL7335813 0.76 SLC6A2 (0.46) HDAC8HDAC4PTGS2HDAC5HDAC3
SCHEMBL7326935 0.72 DNMT1 (0.51) HDAC8HDAC4HDAC5PTAFRSMARCA2
SCHEMBL28378606 0.66 PTAFR (0.42) HDAC8HDAC4PTGS2HDAC5PTAFR
SCHEMBL7330633 0.65 HDAC8 (0.53) HDAC8HDAC4HDAC5HDAC6PTAFR
SCHEMBL7336717 0.64 HDAC8 (0.51) HDAC8HDAC4HDAC5HDAC3HDAC1
SCHEMBL31050084 0.62 HDAC8 (0.41) HDAC8HDAC4PTGS2HDAC5PTAFR
SCHEMBL31167506 0.62 HDAC8 (0.57) HDAC8HDAC4HDAC5HDAC3HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491814-B1 TETRACYCLIC IMIDAZOQUINAZOLINE DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS NOVO NORDISK AS (DK) 1995-12-06 EP disclosed
EP-0491814-A1 TETRACYCLIC IMIDAZOQUINAZOLINE DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS. NOVO NORDISK AS (DK) 1992-07-01 EP disclosed
US-5100895-A Imidazoquinazoline compounds; anticonvulsants, anxiolytics, hypnotics, antipsychotics, antiemetics, improving cognitive function NOVO NORDISK A/S (DK) 1992-03-31 US disclosed
WO-1991003478-A1 TETRACYCLIC IMIDAZOQUINAZOLINE DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed
EP-0417027-A1 Tetracyclic imidazoquinazoline derivatives, process for their preparation and pharmaceutical compositions containing them NOVO NORDISK A/S (DK) 1991-03-13 EP disclosed