SCHEMBL7876965

SCHEMBL7876965

COc1cc2c(Nc3cc(-c4ccccc4)[nH]n3)ncnc2cc1OC(C)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.47
▸ KDR P35968 8/20 0.47
▸ RET P07949 3/20 0.47
▸ LCK P06239 1/20 0.46
▸ KRAS P01116 1/20 0.44
▸ SOS1 Q07889 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ SRC P12931 1/20 0.43
▸ FLT1 P17948 6/20 0.43
▸ FGFR1 P11362 5/20 0.43
▸ FLT4 P35916 5/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ EPHB2 P29323 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL7883378 0.93 EGFR (0.48) EGFRKDRRETSRCFLT1
SCHEMBL7881690 0.93 EGFR (0.48) EGFRKDRRETLCKSRC
SCHEMBL7883417 0.89 EGFR (0.51) EGFRKDRRETAURKAFLT1
SCHEMBL7882903 0.89 KDR (0.47) EGFRKDRFLT1FGFR1FLT4
SCHEMBL7887944 0.86 EGFR (0.62) EGFRKDRRETLCKFLT1
Hydrochloric Acid SCHEMBL5561522 0.85 EGFR (0.63) EGFRKDRRETLCKFLT1
SCHEMBL5567690 0.78 EGFR (0.73) EGFRKDR
Hydrochloric Acid SCHEMBL6444589 0.77 EGFR (0.72) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5649183 0.77 EGFR (0.62) EGFRKDRRETSRCFLT1
SCHEMBL2200924 0.75 KDR (0.74) EGFRKDRRETLCKSRC

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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