SCHEMBL4686975

SCHEMBL4686975

O=C(Nc1ccccc1Cl)Nc1ncnc2[nH]ncc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 6/20 0.62
FLT3 P36888 5/20 0.54
PTK2 Q05397 1/20 0.51
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
BRAF P15056 1/20 0.46

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
SCHEMBL4686832 0.85 PTK2 (0.68) PAK1FLT3PTK2RAB9AMAPK1
SCHEMBL4693022 0.82 FLT3 (0.66) FLT3MAPK1HTTMKNK1
SCHEMBL6774600 0.81 KDM4E (0.50) PAK1RAB9AMAPTMAPK1HTT
SCHEMBL4691855 0.80 MKNK1 (0.67) PAK1FLT3MAPK1MKNK1BRAF
SCHEMBL4686972 0.79 HTT (0.48) PAK1RAB9AMAPTMAPK1HTT
SCHEMBL4686916 0.78 PAK1 (0.64) PAK1FLT3RAB9AMAPTMAPK1
SCHEMBL6774592 0.77 MAPT (0.51) PAK1RAB9AMAPTMAPK1HTT
SCHEMBL3297013 0.76 HTT (0.50) RAB9AMAPTMAPK1HTTSMN1; SMN2
SCHEMBL3297016 0.75 BRD4 (0.60) RAB9AHTTSMN1; SMN2MEN1NPC1
SCHEMBL4690820 0.75 LMNA (0.66) FLT3PTK2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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