SCHEMBL4422583

SCHEMBL4422583

CS(=O)(=O)c1ncnc2cc(/C=C/C(=O)O)sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR2 Q8TDS4 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.31
SIRT1 Q96EB6 2/20 0.31
SIRT3 Q9NTG7 2/20 0.31
MAP3K8 P41279 1/20 0.31
KIT P10721 1/20 0.30
KDM4E B2RXH2 2/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 3/20 0.30
HTR1A P08908 1/20 0.30
HPGD P15428 1/20 0.30
HTR2C P28335 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PKM P14618 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 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
SCHEMBL4422587 1.00 MAPK1 (0.35) MAPK1KMT2AHCAR2SIRT2SIRT1
SCHEMBL4417588 0.78 IKBKB (0.46) MAPK1KMT2AHCAR2SIRT2SIRT1
SCHEMBL4417586 0.78 IKBKB (0.46) MAPK1KMT2AHCAR2SIRT2SIRT1
SCHEMBL4431418 0.77 STK17B (0.43) MAP3K8
SCHEMBL4431422 0.77 STK17B (0.43) MAP3K8
SCHEMBL4419732 0.66 EGFR (0.38) KMT2A
Hydrochloric Acid SCHEMBL4432011 0.66 EGFR (0.37) KMT2A
Hydrochloric Acid SCHEMBL4432013 0.66 EGFR (0.37) KMT2A
SCHEMBL4909510 0.64 RAB9A (0.34) MAPK1KMT2AHCAR2KDM4ERAB9A
SCHEMBL4904376 0.64 RAB9A (0.34) MAPK1KMT2AHCAR2KDM4ERAB9A

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
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP 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