SCHEMBL7837010

SCHEMBL7837010

COc1cc2c(Oc3ccc4c(C)cc(C)nc4c3)ncnc2cc1OCCCC1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ RAF1 P04049 1/20 0.43
▸ KDR P35968 11/20 0.42
▸ AURKA O14965 3/20 0.42
▸ MET P08581 3/20 0.42
▸ TEK Q02763 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ FLT1 P17948 3/20 0.41
▸ FLT4 P35916 3/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ EGFR P00533 4/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ KIT P10721 2/20 0.41
▸ RET P07949 1/20 0.40
▸ KIF5B P33176 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40

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
SCHEMBL7848071 0.90 KDM1A (0.47) KDM1ARAF1KDRAURKAMET
SCHEMBL6366685 0.84 KDR (0.49) KDM1ARAF1KDRAURKAMET
SCHEMBL7848576 0.83 PDGFRB (0.48) KDM1ARAF1KDRAURKAMET
SCHEMBL7847211 0.82 KDR (0.45) KDM1ARAF1KDRMETTEK
SCHEMBL7847869 0.80 KDM1A (0.43) KDM1ARAF1KDRAURKAMET
SCHEMBL4371468 0.79 FLT4 (0.61) KDRAURKAMETTEKAURKB
SCHEMBL4377658 0.79 EGFR (0.57) RAF1KDREGFRKIT
SCHEMBL41746 0.76 KDR (0.67) KDRMETTEKAURKBFLT1
SCHEMBL6986140 0.75 KDR (0.48) KDRFLT1FLT4EGFRFGFR1
SCHEMBL4593476 0.75 ENPP1 (0.59) KDRFLT1FLT4EGFRFGFR1

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-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 — — EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 — — WO disclosed
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