SCHEMBL6443640

SCHEMBL6443640

COc1ccc(-c2cc(Oc3ncnc4cc(OCCCN5CCN(C)CC5)cc(OC)c34)n[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.45
▸ SRC P12931 6/20 0.45
▸ AURKA O14965 3/20 0.44
▸ FLT4 P35916 3/20 0.44
▸ TEK Q02763 3/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ PDGFRB P09619 2/20 0.44
▸ ABCB1 P08183 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ CHRNA3 P32297 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL5566618 0.85 KDR (0.61) KDRSRCAURKAFLT4TEK
SCHEMBL5561051 0.78 FLT4 (0.52) KDRSRCAURKAFLT4TEK
SCHEMBL5565932 0.77 KDR (0.60) KDRSRCAURKAFLT4TEK
SCHEMBL16742195 0.73 SRC (0.50) KDRSRCAURKAFLT4PDGFRB
SCHEMBL5566455 0.73 EGFR (0.53) KDRSRCEGFR
SCHEMBL7885709 0.72 KDR (0.53) KDRSRCAURKAFLT4TEK
SCHEMBL5561123 0.71 EGFR (0.56) KDRSRCFLT4ABCB1EGFR
SCHEMBL5565947 0.71 KDR (0.55) KDRSRCAURKAFLT4TEK
SCHEMBL5565918 0.70 SRC (0.57) KDRSRCAURKAFLT4TEK
SCHEMBL5561384 0.70 KDM1A (0.54) KDRSRCAURKAFLT4TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 — — EP disclosed
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