SCHEMBL7885709

SCHEMBL7885709

CCN1CCN(CCCOc2cc3ncnc(Oc4cc(-c5ccccc5)[nH]n4)c3cc2OC)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.53
▸ FLT4 P35916 9/20 0.53
▸ PDGFRB P09619 4/20 0.53
▸ TEK Q02763 4/20 0.53
▸ AURKB Q96GD4 4/20 0.53
▸ AURKA O14965 4/20 0.53
▸ FLT1 P17948 6/20 0.51
▸ EGFR P00533 4/20 0.51
▸ KIT P10721 3/20 0.51
▸ RET P07949 2/20 0.51
▸ SRC P12931 2/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ EPHB6 O15197 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ ERN1 O75460 1/20 0.51
▸ STK10 O94804 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ CHEK2 O96017 1/20 0.51
▸ ABL1 P00519 1/20 0.51

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
SCHEMBL5565932 0.94 KDR (0.60) KDRFLT4PDGFRBTEKAURKB
SCHEMBL5565918 0.92 SRC (0.57) KDRFLT4PDGFRBTEKAURKB
Hydrochloric Acid SCHEMBL5566627 0.91 SRC (0.56) KDRFLT4PDGFRBTEKAURKB
SCHEMBL5566618 0.87 KDR (0.61) KDRFLT4PDGFRBTEKAURKB
SCHEMBL5565868 0.85 KDM1A (0.56) KDRFLT4PDGFRBFLT1EGFR
SCHEMBL5566781 0.85 EGFR (0.50) KDRFLT4PDGFRBEGFRRET
SCHEMBL5560704 0.85 KDM1A (0.55) KDRFLT4PDGFRBTEKAURKB
Hydrochloric Acid SCHEMBL5566986 0.84 KDM1A (0.55) KDRFLT4PDGFRBFLT1EGFR
SCHEMBL5561123 0.84 EGFR (0.56) KDRFLT4FLT1EGFRKIT
SCHEMBL5561051 0.84 FLT4 (0.52) KDRFLT4PDGFRBTEKAURKB

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 disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 — — WO disclosed
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