SCHEMBL21099490

SCHEMBL21099490

COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2NS(C)(=O)=O)c2sccc2n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.69
▸ ALK Q9UM73 14/20 0.60
▸ PTK2 Q05397 1/20 0.53
▸ MET P08581 1/20 0.52

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
SCHEMBL21150888 0.91 EGFR (0.57) EGFRALKMET
SCHEMBL21846981 0.82 EGFR (1.00) EGFRALKPTK2MET
SCHEMBL19867181 0.81 ALK (0.61) EGFRALKMET
SCHEMBL21150899 0.80 ALK (0.49) EGFRALKMET
SCHEMBL21150641 0.79 EGFR (0.56) EGFRALK
SCHEMBL21099419 0.78 ALK (0.72) EGFRALKMET
SCHEMBL19867195 0.77 PTK2 (0.53) EGFRALKPTK2MET
SCHEMBL21099577 0.77 ALK (0.51) EGFRALKPTK2MET
SCHEMBL21099668 0.77 PTK2 (0.58) EGFRALKPTK2MET
SCHEMBL19867264 0.77 ALK (0.51) EGFRALKPTK2MET

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-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 — — EP disclosed
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