SCHEMBL21100226

SCHEMBL21100226

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(OCc2ccccc2SC(C)C)c2sccc2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.57
▸ EGFR P00533 13/20 0.55
▸ ALK Q9UM73 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ TNK2 Q07912 1/20 0.48
▸ IGF1R P08069 1/20 0.45

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
SCHEMBL21099590 0.92 ALK (0.59) PTK2EGFRALKIGF1R
SCHEMBL21099576 0.87 PTK2 (0.52) PTK2EGFRALKJAK2
SCHEMBL21150903 0.85 ALK (0.62) PTK2EGFRALKJAK2SRC
SCHEMBL21150948 0.80 ALK (0.66) PTK2EGFRALKJAK2SRC
SCHEMBL21099501 0.79 ALK (0.52) PTK2EGFRALKTNK2IGF1R
SCHEMBL21099658 0.79 ALK (0.60) PTK2EGFRALKJAK2SRC
SCHEMBL21099457 0.78 ALK (0.52) PTK2EGFRALKJAK2TNK2
SCHEMBL19867198 0.78 ALK (0.75) PTK2EGFRALKJAK2SRC
SCHEMBL21099502 0.77 ALK (0.59) PTK2EGFRALKJAK2TNK2
SCHEMBL19921165 0.77 ALK (0.49) PTK2EGFRALKJAK2SRC

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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