SCHEMBL4495953

SCHEMBL4495953

N#CCN1CCN(CCCCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
HRH3 Q9Y5N1 6/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PAOX Q6QHF9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHUK O15111 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
SCHEMBL1098531 0.94 ALDH1A1 (0.44) MAPTALDH1A1PKMHRH3POLB
SCHEMBL1100728 0.85 ALDH1A1 (0.52) MAPTALDH1A1PKMHRH3POLB
SCHEMBL11483699 0.82
SCHEMBL11484221 0.79
SCHEMBL11501758 0.79 ALDH1A1 (0.57) MAPTALDH1A1PKMHRH3POLB
SCHEMBL11486700 0.79 HRH3 (0.52) ALDH1A1HRH3KDM4EPAOX
SCHEMBL11482886 0.79 HRH3 (0.52) ALDH1A1HRH3KDM4EPAOX
SCHEMBL11899867 0.79 HRH3 (0.52) ALDH1A1HRH3KDM4EPAOX
SCHEMBL11484139 0.79 HRH3 (0.52) ALDH1A1HRH3KDM4EPAOX
SCHEMBL4495949 0.79 MAPT (0.45) MAPTALDH1A1PKMHRH3POLB

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP claimed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US claimed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP claimed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US claimed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US claimed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP claimed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US claimed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US claimed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US claimed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO claimed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO claimed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed