SCHEMBL6688484

SCHEMBL6688484

Cc1cccc2oc(-c3c[nH]nc3-c3ccc(CNC(=O)C4CC4)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 1/20 0.44
TP53 P04637 3/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AGPAT2 O15120 2/20 0.39
JAK2 O60674 2/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6686207 0.82 NAMPT (0.48) TP53MAPTNPC1RAB9AAGPAT2
SCHEMBL6688046 0.78 CEPT1 (0.40) CEPT1NPC1RAB9AAGPAT2POLB
SCHEMBL6086026 0.77 CEPT1 (0.47) CEPT1TP53MAPTNPC1RAB9A
SCHEMBL6084017 0.77 CEPT1 (0.52) CEPT1TP53MAPTNPC1RAB9A
SCHEMBL6087191 0.76 CEPT1 (0.51) CEPT1TP53MAPTNPC1RAB9A
SCHEMBL6086055 0.76 CEPT1 (0.39) CEPT1MAPTNPC1RAB9AAGPAT2
SCHEMBL6085513 0.75 CEPT1 (0.58) CEPT1TP53MAPTAGPAT2RXFP1
SCHEMBL6086552 0.75 CEPT1 (0.49) CEPT1TP53MAPTNPC1RAB9A
SCHEMBL6084212 0.75 CEPT1 (0.51) CEPT1TP53MAPTNPC1RAB9A
SCHEMBL6085859 0.74 CEPT1 (0.51) CEPT1TP53MAPTNPC1RAB9A

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
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO disclosed