SCHEMBL6776176

SCHEMBL6776176

COc1cc2c(N)ncnc2cc1C#CCCCCN(C)N(C=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.37
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
ENPP1 P22413 2/20 0.33
EGFR P00533 6/20 0.32
MAP4K4 O95819 1/20 0.31
PDE5A O76074 1/20 0.30

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
SCHEMBL6776477 0.81 TRPA1 (0.40) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL7625181 0.79 MAP4K4 (0.40) SRCHDAC3HDAC4HDAC1HDAC7
Methylamine SCHEMBL6776180 0.74 ATM (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4420146 0.73 PDE5A (0.41) SRCENPP1EGFRMAP4K4PDE5A
SCHEMBL6776188 0.72 MAP4K4 (0.39) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL4424726 0.71 SRC (0.50) SRCEGFR
SCHEMBL4689994 0.71 MAP4K4 (0.39) SRCENPP1EGFRMAP4K4PDE5A
SCHEMBL4430373 0.70 ALDH1A1 (0.36) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL4420153 0.70 KDM4E (0.52) SRCEGFRMAP4K4
SCHEMBL4430446 0.66 EHMT2 (0.46) SRCENPP1MAP4K4PDE5A

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-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-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed