SCHEMBL18633092

SCHEMBL18633092

CN1CCC2(CCC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC=O)O2)CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.81
▸ EPHA2 P29317 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ EPHB4 P54760 1/20 0.55
▸ ERBB2 P04626 3/20 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
SCHEMBL255508 0.89 EGFR (1.00) EGFRKDREPHB4ERBB2
SCHEMBL15106899 0.88 EGFR (0.74) EGFREPHA2KDREPHB4ERBB2
SCHEMBL15090643 0.86 EGFR (0.72) EGFREPHA2KDREPHB4
SCHEMBL18862908 0.86 EGFR (0.68) EGFREPHA2KDREPHB4ERBB2
SCHEMBL18862743 0.86 EGFR (0.79) EGFREPHA2KDREPHB4ERBB2
SCHEMBL21761244 0.82 EGFR (0.63) EGFREPHA2KDREPHB4ERBB2
SCHEMBL21761372 0.81 EGFR (0.69) EGFRKDREPHB4ERBB2
SCHEMBL21761309 0.80 EGFR (0.66) EGFREPHA2KDREPHB4ERBB2
SCHEMBL18862756 0.79 EGFR (0.58) EGFREPHA2KDREPHB4ERBB2
SCHEMBL18632967 0.78 FBP1 (0.76) EGFRKDREPHB4ERBB2

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-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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