SCHEMBL7333393

SCHEMBL7333393

N#CCn1cnc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 1/20 0.40
ADORA2B P29275 2/20 0.39
PKM P14618 2/20 0.36
PDE4A P27815 1/20 0.35
ADORA2A P29274 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP17A1 P05093 1/20 0.33
MKNK1 Q9BUB5 1/20 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
SCHEMBL6788435 0.79 NPSR1 (0.42) NPSR1CTSKCTSLCTSSPOLB
SCHEMBL31144984 0.73 KDM4E (0.51) CSNK2A1POLBMAPTADORA2BPKM
SCHEMBL31144951 0.73 LMNA (0.40) CSNK2A1POLBADORA2BPKMPDE4A
SCHEMBL27537841 0.73 CYP17A1 (0.39) CSNK2A1POLBADORA2BPKMPDE4A
SCHEMBL9265326 0.73
SCHEMBL866826 0.71
SCHEMBL13273348 0.71
SCHEMBL15722722 0.68 MAPT (0.53) NPSR1POLBMAPTADORA2BPKM
Bromide SCHEMBL6183691 0.67 NPSR1 (0.50) NPSR1CTSKCTSLCTSSPOLB
SCHEMBL15722800 0.65 POLB (0.56) NPSR1POLBPKMADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962492-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-05 US disclosed
US-5723460-A Cyclo (alkyl and alkenyl) phenyl-alkenylyl heteroaryl compounds and pharmaceutical compositions containing same CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-03 US disclosed
EP-0640070-B1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-09-10 EP disclosed
US-5633257-A PHOSPHODIESTERASE INHIBITOR CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-27 US disclosed
EP-0640070-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS. CELLTECH THERAPEUTICS LTD (GB) 1995-03-01 EP disclosed
WO-1994020455-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-09-15 WO disclosed