SCHEMBL4686972

SCHEMBL4686972

O=C(Nc1ccccc1Cl)Nc1ncnc2n[nH]cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 7/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
NPC1 O15118 6/20 0.47
PPIA P62937 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.44
CASP3 P42574 3/20 0.44
SENP7 Q9BQF6 3/20 0.44
SENP8 Q96LD8 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
AURKA O14965 1/20 0.43
PDPK1 O15530 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL4686830 0.85 NPC1 (0.51) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4693021 0.82 ADORA3 (0.60) HTTSMN1; SMN2RAB9ANPC1PPIA
SCHEMBL7137817 0.81 HTT (0.51) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4691851 0.80 RAB9A (0.46) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4686975 0.79 PAK1 (0.62) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4686910 0.79 KMT2A (0.54) HTTRAB9AMEN1KMT2ANPC1
SCHEMBL3297016 0.77 BRD4 (0.60) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4690818 0.76 ADORA3 (0.48) RAB9ANPC1MAPTPOLBKDM4E
SCHEMBL3297013 0.72 HTT (0.50) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6774589 0.72 KDM4E (0.49) HTTSMN1; SMN2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN claimed
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed