SCHEMBL10206593

SCHEMBL10206593

C=C1Nc2cccc(CNc3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4OC)ncc3C(F)(F)F)c2C1(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 5/20 0.57
▸ EGFR P00533 10/20 0.52
▸ PTK2 Q05397 5/20 0.48
▸ FLT4 P35916 4/20 0.48
▸ ERBB2 P04626 1/20 0.46
▸ ERBB3 P21860 1/20 0.46
▸ ERBB4 Q15303 1/20 0.46

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
SCHEMBL10206591 0.94 ALK (0.57) ALKEGFRPTK2FLT4ERBB2
SCHEMBL14331661 0.89 ALK (0.58) ALKEGFRPTK2FLT4ERBB2
SCHEMBL10205083 0.89 ALK (0.51) ALKEGFRPTK2FLT4ERBB2
SCHEMBL10206590 0.88 ALK (0.50) ALKEGFRPTK2FLT4ERBB2
SCHEMBL10205532 0.88 ALK (0.48) ALKEGFRPTK2FLT4ERBB2
SCHEMBL10206586 0.87 ALK (0.48) ALKEGFRPTK2FLT4ERBB2
SCHEMBL10205049 0.84 ALK (0.66) ALKEGFR
SCHEMBL10205849 0.83 PTK2 (0.46) PTK2FLT4
SCHEMBL10205538 0.82 ALK (0.43) ALKEGFRPTK2ERBB2ERBB3
SCHEMBL10205893 0.82 ALK (0.53) ALKEGFRPTK2FLT4

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
WO-2012085126-A1 OXINDOLOPYRIMIDINE AS IGF1R RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — WO disclosed
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