SCHEMBL7888723

SCHEMBL7888723

CCOc1cc2c(Oc3cc(-c4ccccc4)[nH]n3)ncnc2cc1OCCOCCOC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.52
▸ EGFR P00533 8/20 0.40
▸ IRAK1 P51617 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ BRAF P15056 3/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ PDGFRB P09619 2/20 0.38
▸ KIT P10721 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL5566656 0.94 KDM1A (0.53) KDM1AEGFRIRAK1IRAK4BRAF
Hydrochloric Acid SCHEMBL5566338 0.93 KDM1A (0.52) KDM1AEGFRIRAK1IRAK4BRAF
SCHEMBL5565868 0.91 KDM1A (0.56) KDM1AEGFRIRAK1IRAK4BRAF
Hydrochloric Acid SCHEMBL5566986 0.90 KDM1A (0.55) KDM1AEGFRIRAK1IRAK4BRAF
SCHEMBL5565927 0.82 KDM1A (0.54) KDM1AEGFRBRAFRAF1PDGFRB
SCHEMBL5566781 0.82 EGFR (0.50) EGFRIRAK1IRAK4BRAFPDGFRB
SCHEMBL5560937 0.81 KDM1A (0.47) KDM1AEGFRBRAFRAF1PDGFRB
Hydrochloric Acid SCHEMBL5566335 0.80 KDM1A (0.46) KDM1AEGFRBRAFRAF1PDGFRB
SCHEMBL7885709 0.78 KDR (0.53) EGFRPDGFRBKITPDGFRAKDR
SCHEMBL7884841 0.77 KDM1A (0.41) KDM1AEGFRIRAK1IRAK4BRAF

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-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 — — EP claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 — — WO claimed
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