SCHEMBL18633102

SCHEMBL18633102

CN1CCC2(CC1)CC(Oc1cc3ncnc(Nc4ccc(F)c(CI)c4)c3cc1N)CO2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.51
▸ KDR P35968 3/20 0.41
▸ FLT1 P17948 2/20 0.41
▸ EPHA2 P29317 2/20 0.41
▸ EPHB4 P54760 2/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ EIF2AK3 Q9NZJ5 1/20 0.40
▸ ERBB2 P04626 1/20 0.40

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
SCHEMBL15106846 0.90 EGFR (0.61) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL18633147 0.83 EGFR (0.59) EGFRKDRFLT1EPHA2EPHB4
SCHEMBL15090717 0.80 EGFR (0.73) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL15090694 0.78 EGFR (0.59) EGFR
SCHEMBL18862763 0.77 EGFR (0.60) EGFRKDRFLT1EPHB4ERBB2
SCHEMBL19628577 0.77 EGFR (0.69) EGFRERBB2
SCHEMBL15090755 0.75 EGFR (0.82) EGFRKDRFLT1EPHB4ERBB2
SCHEMBL14388074 0.74 EGFR (0.51) EGFRKDRFLT1EPHA2EPHB4
SCHEMBL18633113 0.74 EGFR (0.58) EGFRKDRFLT1EPHA2EPHB4
SCHEMBL14388230 0.74 EGFR (0.41) 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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