SCHEMBL18928155

SCHEMBL18928155

CCOCOc1ccc2c(c1OC)N=C(N)N1CCN=C21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA4 P22748 3/20 0.34
CA7 P43166 3/20 0.34
HDAC8 Q9BY41 2/20 0.33
PTGS2 P35354 2/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL1655758 0.82 PTAFR (0.41) PTAFR
SCHEMBL30137694 0.82 PTAFR (0.41) PTAFR
SCHEMBL4539391 0.81 PTAFR (0.35) PTAFRCA1CA2CA4CA7
SCHEMBL4532060 0.81 PTAFR (0.35) PTAFRCA1CA2CA4CA7
SCHEMBL4529772 0.81 PTAFR (0.35) PTAFRCA1CA2CA4CA7
SCHEMBL12362314 0.78 HDAC8 (0.39) PTAFRCA1CA2CA4CA7
SCHEMBL4565013 0.77 KDM4E (0.43)
SCHEMBL4565014 0.77 KDM4E (0.43)
SCHEMBL4565403 0.77 KDM4E (0.41)
SCHEMBL4565402 0.77 KDM4E (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638044-B1 ALKOXY-SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES BAYER IP GMBH (DE) 2017-08-30 EP disclosed
EP-2638043-B1 ARYLAMINOALCOHOL-SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINOLINES BAYER IP GMBH (DE) 2017-06-07 EP disclosed