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Sugi Predict / Compounds / SCHEMBL7081900

SCHEMBL7081900

SCHEMBL7081900

COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN(C)CCO.COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CC=CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 17/20 0.57
▸ KDR P35968 17/20 0.57
▸ FGFR1 P11362 16/20 0.57
▸ EGFR P00533 14/20 0.57
▸ FLT4 P35916 12/20 0.57
▸ EPHB2 P29323 1/20 0.57

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
SCHEMBL7085064 0.92 FLT1 (0.63) FLT1KDRFGFR1EGFRFLT4
SCHEMBL5455605 0.92 FLT1 (0.67) FLT1KDRFGFR1EGFRFLT4
SCHEMBL5457529 0.92 FLT1 (0.67) FLT1KDRFGFR1EGFRFLT4
Hydrochloric Acid SCHEMBL5453630 0.91 FLT1 (0.66) FLT1KDRFGFR1EGFRFLT4
Hydrochloric Acid SCHEMBL5456492 0.91 FLT1 (0.66) FLT1KDRFGFR1EGFRFLT4
SCHEMBL5493162 0.87 FLT1 (0.68) FLT1KDRFGFR1EGFRFLT4
SCHEMBL5754345 0.85 FLT1 (0.69) FLT1KDRFGFR1EGFRFLT4
SCHEMBL14564687 0.85 KDR (0.77) FLT1KDRFGFR1EGFRFLT4
SCHEMBL5757192 0.85 KDR (0.77) FLT1KDRFGFR1EGFRFLT4
SCHEMBL5456122 0.84 FLT1 (0.72) FLT1KDRFGFR1EGFRFLT4

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-1274692-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2003-01-15 — — EP disclosed
WO-2001077085-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 — — WO disclosed