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Sugi Predict / Compounds / SCHEMBL18633113

SCHEMBL18633113

SCHEMBL18633113

CN1CC2CCC(C1)C2CCOc1cc2ncnc(Nc3ccc(F)c(CI)c3)c2cc1N

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.58
▸ KDR P35968 6/20 0.43
▸ EPHA2 P29317 4/20 0.43
▸ EPHB4 P54760 4/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ FLT1 P17948 4/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ FLT4 P35916 2/20 0.42
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL15106862 0.89 EGFR (0.72) EGFRKDREPHA2EPHB4FBP1
SCHEMBL18633111 0.87 EGFR (0.57) EGFRFBP1
SCHEMBL15106813 0.81 EGFR (0.71) EGFRKDREPHB4FBP1FLT4
SCHEMBL18632979 0.81 EGFR (0.71) EGFRKDREPHB4FBP1FLT4
SCHEMBL15100142 0.81 EGFR (0.71) EGFRKDREPHB4FBP1FLT4
SCHEMBL15112814 0.81 EGFR (0.71) EGFRKDREPHB4FBP1FLT4
SCHEMBL18862763 0.79 EGFR (0.60) EGFRKDREPHB4FBP1FLT1
SCHEMBL18633147 0.78 EGFR (0.59) EGFRKDREPHA2EPHB4FLT1
SCHEMBL15090624 0.76 EGFR (0.69) EGFR
SCHEMBL18633089 0.76 EGFR (0.70) EGFRERBB2

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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