SCHEMBL8327645

SCHEMBL8327645

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
DPP4 P27487 7/20 0.46
ACHE P22303 4/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL8327213 0.92 DPP4 (0.49) KMT2AMEN1DPP4ACHEMAPT
SCHEMBL8565920 0.91 DPP4 (0.52) KMT2AMEN1DPP4MAPTALDH1A1
SCHEMBL8326372 0.89 TSHR (0.40) KMT2AMEN1DPP4ALDH1A1NPC1
SCHEMBL8326185 0.88 SLC2A1 (0.40) KMT2AMEN1DPP4TSHR
SCHEMBL8322260 0.87 DPP4 (0.48) DPP4MAPTNPC1KDM4ETSHR
SCHEMBL8566663 0.85 KMT2A (0.51) KMT2AMEN1DPP4ACHEMAPT
SCHEMBL8560317 0.81 KMT2A (0.51) KMT2AMEN1DPP4MAPTALDH1A1
SCHEMBL8563128 0.80 KDM4E (0.37) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8324234 0.79 DPP4 (0.51) DPP4MAPTNPC1KDM4ETSHR
SCHEMBL8322999 0.79 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed